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化學研究推動中心 八十七 九十四年三月

國 科 會 自 然 處 通 訊 化學研究推動中心Complutense, Madrid, 雷射光譜研究 3. 氣態分子的表面反 ... (交通大學物理所) Physics and Devices of Conjugated

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國 科 會 自 然 處

通 訊 化學研究推動中心

第 八十七 期

九十四年三月

目 錄

最新消息 ----------------------------------------------------------- 1

各校演講公告 ----------------------------------------------------- 3

研討會報告 -------------------------------------------------------- 24

訪問教授報告 ----------------------------------------------------- 32

- 1 -

最 新 消 息 一3月1日「化學學門規劃討論會」重新把學門規劃拓展為八個方向如下

1 先進材料化學2 環境化學與能源化學3 先進量測4 理論化學5 生物及醫藥化學 6 先進分析方法7 合成化學8 分子設計化學正在草擬中

二第187次(940301)中心審議會會議決議 (一) 同意補助下列三位教授為中心訪問教授生活費補助以不超過七天為限並須給三

場以上學術演講及繳交訪問報告 姓名來訪日期及 連絡人

主 要 專 長 現 職 備 註

1Dario M Bassani 94813-820 汪根欉教授

光化學與巨分子化學 法國波爾多大學

CNRS 研究員 補助副教授級

生活費及機票

費 2Joseph M OrsquoConnor 94530-65 劉瑞雄教授

有機金屬及催化反

應 美國加州大學聖地牙

哥分校教授 補助教授級生

活費及機票費

3A Gonzalez Ureňa 94620-627 林金全教授

1 氣態反應動態學 2 雷射光譜研究 3 氣態分子的表面反

Prof Univ of Complutense Madrid 西班牙

補助教授級生

活費及機票費

(二) 同意推薦下列五位教授為國科會國際科技人士短期訪問教授生活費補助以不超過

為限並須給三場以上學術演講及繳交訪問報告 姓名來訪日期及 連絡人

主 要 專 長 現 職 備 註

1Thomas J Martin 94815-820 林俊成博士

Deoxy sugar 的合成 唾液酸醣(sialic acid)化學藥物設計開發與

合成

Senior Research Scientist Department of Chemistry ALTANA Pharma Group

補助教授級生活費及機票費

2Michinori Suginome 94619-626 梁文傑教授

有機金屬有機合成

高分子合成 日本京都大學教授 補助教授級生

活費及機票費

3Aharon Gedanken 94617-621 陳水田教授

Sonochemistry Microwave heating Sonoelectrochemistry

Professor Bar-Ilan Univ Israel

補助教授級生活費及機票費

4Hajime Yamamoto 94815-820 劉如熹教授

Solid state physics and chemistry Phosphors for display

Professor Tokyo University of Technology Japan

補助教授級生活費及機票費

5Hiroaki Sasai 94523-526 劉行讓教授

Organic Chemistry 日本大阪大學教授 補助教授級生活費及機票費

- 2 -

(三) 同意推薦「第五屆海峽兩岸催化學術研討會」為國科會兩岸學術科技研討會並建 議補助金額三十五萬元

(四) 同意補助下列研討會經費如下

會議名稱 補助金額 備 註 1第十一屆分析化學技術交流研討會 25000 元 2第二十三屆台灣區觸媒與反應工程 研討會

25000 元

3無機化學研討會 請補詳細議程後再審查 4無機錯鹽化學小組研討會 25000 元

- 3 -

中研院原分所與台大化學系九十三學年度第二學期演講

日期 演講者 講題 0224 (四)

1530

林唯芳教授 (台灣大學材料所)

Organic Solar Cell 有機太陽能電池

0303 (四)

1530

孟心飛教授 (交通大學物理所) Physics and Devices of Conjugated Polymers

0324 (四)

1530

Prof Michel Herman (Universiteacute Libre de Bruxelles Belgium)

Recent Developments in High Resolution Fourier Transform Spectroscopy From Atmospheric Fingerprints to Vibrational Alchemy

0331 (四)

1530

倪衛新主任 (國家奈米元件實驗室) (To be announced)

0407 (四)

1530

Prof John Zhang (張增輝教授) (Department of Chemistry New York University USA)

An Efficient New Approach for Quantum Calculation of Proteins

0414 (四)

1530

游靜惠教授 (清華大學化學系)

Theoretical Investment of Hydrogen Bond Cooperativity and Stable Triplet Biradicals

0421 (四)

1530

白果能博士 (中央研究院生醫所)

High Sensitivity and High Throughput Detection of Viruses

0428 (四)

1530

吳天鳴教授 (交通大學物理所) (To be announced)

0505 (四)

1530

林寬鋸教授 (中興大學化學系)

Navigating Artificial Muscle on ID Supramolecular Systems

0512 (四)

1530

Prof Jack Saltiel (Florida State University USA)

The Photophysics and Photochemistry of Diphenylhexatriene Overcoming Nonlinear Effects in Spectral Resolution

0519 (四)

1530

張玉明博士 (台灣大學凝態科學研究中心)

Electron Accumulation in the Near Surface Region of InN

0526 (四)

1530

吳益群教授 (台灣大學分子細胞生物學研究

所)

Cell Death in C Elegans Gene Discovery and Functional Analysis

0602 (四)

1530

張瑛芝博士 (中央研究院基因體研究中心)

Grafted Polypeptide Assisted Thin Film Fabrication at Planar Solid Surfaces

0609 (四)

1530

Prof John Zhang (張增輝教授) (Department of Chemistry New York University USA)

Computational Study for Protein-ligand Binding and Drug Design

- 4 -

國立中央大學化學系九十三年度第二學期專題演講

時間 演講人 單 位 講 題 地點 邀請人 邀請人分機

0304 林弘萍 成大化學系 中孔洞碳材之合成與

應用 S5-101 高憲明 65932

0311 傅明仁 東吳化學系 Drug Analysis by LC-ES-MS

S5-101 丁望賢 65905

0315 Atsunori Mori

東京工業大學 Transition Metal-Catalyzed

Reactions of Alkynes and Heteroaromatic

Compounds

S5-101 楊吉水 65925

0318 王心心 工研院化工所 光電用染料及其應用 S5-101 楊吉水 65925 0325 楊定亞 東海化學系 Synthesis of

4-hydroxycoumarin derivatives and its

applications

S5-101 侯敦仁 65981

0408 林英智 台大化學系 Organometallic complexes containing

unsaturated three-membered ring

ligand

S5-101 陳銘洲 65943

0415 黃炳照 台科大 過量鋰層狀陰極材料

異常充放電機構 S5-101 諸柏仁 65902

0506 王立義 台大凝態 Development of donoracceptor hybrid materials for organic

solar cell

S5-101 吳春桂 65903

0513 Jack Saltiel

美國佛羅里達

大學 From Photoisomerism

and Rotamerism to Bacteriorhodopsin

S5-101 楊吉水 65925

0520 胡景瀚 彰師大化學系 未定 S5-101 張伯琛 65908 0527 李度 中大化材系 Biomimetic

crystallization from evolution to revolution

S5-101 李光華 65930

- 5 -

國立台灣師範大學化學系九十三學年第二學期專題演講

日期 主講者 題目 邀請人 演講場地

3 月 3 日

瑞士理工大學 Prof Eric Carreira Prof Phillippe Renaud

未定 陳建添教授 F322

3 月 4 日 日本神奈川大學化

學系 竹內敬人教授

Organogermanium Chemistry-A Wonderland of Heteroatom Chemistry

葉名倉教授 F322

3 月 14 日 莊哲仁 博士 Pharmaceutical Process

Development 藥物製程開發

謝明惠教授 E302 教

(1) 台大生工系 廖秀娟教授

未定

王忠茂教授

E302 教

3 月 21 日 (2) 印度國家科學

院院長 Prof Metha (印度)

未定 陳建添教授 E302 教

3 月 28 日 同步輻射中心 許火順博士

蜘蛛絲裡的奈米晶體 洪偉修教授 E302 教

室 台灣科技大學化工

系 黃炳照教授

未定 王忠茂教授

4 月 11 日

Prof Richard Tayler 陳建添教授

E302 教

4 月 18 日 國立交通大學應化

陳月枝教授

未定 林震煌教授 E302 教

中研院原分所 曾文碧教授

未定 何嘉仁教授 4 月 25 日

Prof Vijay Nair 陳建添教授

E302 教

5 月 16 日 東華大學化學系 林志彪教授

Metal containing liquid crystals based on imidazoles

謝明惠教授 E302 教

6 月 6 日 中正大學化學系 洪伯誠教授

未定 陳焜銘教授 E302 教

6 月 13 日 暨南大學應用化學

系 何佳安教授

未定 林震煌教授 E302 教

時間(星期一) 第一場 PM 210 第二場 PM 330

以附註者之演講時間為星期三 900~1030 am 歡迎系上教職員生踴躍參加 附註資料陸續更新中請見本系網頁的系公佈欄的專題演講

- 6 -

成功大學化學系 93 學年下學期 專題演講 題目

日期 NAME 服務單位 職稱 題目 主持人

3 2 PM210

日 杜慶光 Univ of Florida 教授 Proton Transfer in Carbon Anhydrases 孫亦文

3 9 PM210

日 林俊成 中央研究院

化學所 副研究員 Synthesis of Complex Carbohydrate and

Application of Carbohydrate Encapsulated Nanoparticle and Microarray

黃得時

316 PM210

日 PM610

陳甫州 台中榮總醫研部 教授 腦中風動物模式與幹細胞治療研究 陳淑慧 桂椿雄

323 PM210

日 Michael Herman 國科會訪問教授 教授 未定 葉晨聖

330 PM210

日 PM610

周錦生 亞洲基因科技 (股)公司 總經理 Advancement of Molecular Diagnostics 葉晨聖

413 PM210

日 許桂芳 成功大學化學系 助理教授 熱電材料的合成與應用 黃文亮

420 PM210

日 高憲明 中央大學化學系 副教授 Synthesis and Characterization of

Mesoporous Silica SBA-1 葉晨聖

420 PM610

夜 鄭豐裕 成功大學化學系 博士候選人

Synthesis of Magnetic Nanoparticles and its Application in Biomedicine 葉晨聖

511 PM210

日 鄭豐裕 成功大學化學

系 博士候選人Synthesis of Magnetic Nanoparticles and

its Application in Biomedicine 葉晨聖

518 PM210

日 胡景瀚 彰化師範大學

化學系 教授 Theoretical Study on the Catalysis of N-heterocyclic Carbenes 葉晨聖

525 PM210

日 邱惠琪 成功大學化學

系 博士後研究

員 A study of Novel electrodes of the Reduction of

Oxygen and the Determination of CO2 孫亦文

- 7 -

國立高雄師範大學化學系93學年度第二學期演講公告 日 期 時 間 演 講 者 講 題

314 (一) 1430

丁尚武 教授

中山大學化學系

Applications of solid state NMR spectroscopy and imaging in the studies of materials and biological systems(固態核磁共振光譜和影

像在研究材料和生物系統中的應用)

321 (一) 1430

陳振興 教授

高雄大學應用化學系

利用旋轉環狀圓盤電極探討鋰離子二次

電池中鋰錳電極材料容量的衰退與錳離

子溶解之關係

331 (四) 1430

蔡厚仁 教授

中正理工學院應用化學系

從含氟的Ylides合成單氟及雙氟烯類化

合物

47 (四) 1430

傅明仁 教授

東吳大學化學系 Drug Analysis by LC-ES-MS

418 (一) 1430

潘樹德 技術經理

中環科技事業有限公司 環境污染物檢測

428 (四) 1430

何君艷 副理

財團法人中興工程顧問

社環境工程研究中心 環境檢驗化學

516 (一) 1430

徐秀福 教授

淡江大學化學系 從化學家的角度切入液晶材料之設計

530 (一) 1430

許鏵芬 教授

成功大學化學系 Vanadium chemistry relevant to the biological system

- 8 -

國立中興大學化學系演講日程表

地點化學館 1 樓視聽教室 (93 學年度下學期)930201 時 間 演 講 人 演 講 題 目

0223 1030~1200

星期三

Postdoctoral Associate with Professor John F Hartwig at Yale University

李進發博士

1 From Propargylic Dithioacetals to 235-trisubstituted Furans

Toward Molecular Nanowire

2 Synthesis and Applications of Fluoroalkylphosphines 0302

1030~1200 星期三

嘉南藥理科技大學 王來好教授

Developments in Electrochemical Detection for Liquid Chromatography in Medicine and Chemistry

0309 1030~1200

星期三

中興大學 生物醫學研究所

闕斌如教授

A Tumor-Associated Cellular Target for the Anticancer Actions of Capsaicin and Green Tea Catechin

0316 1030~1200

星期三

淡江大學化學系 徐秀福教授

Design and Properties of Liquid Crystals with Board-like and Disk-like Cores

0323 1030~1200

星期三 黃聖言博士

Dynamics of Supercooled Water in Confinement

0330 1030~1200

星期三

國科會自然處 瞿港華副研究員

綠色溶液-離子液體與超臨界流體在金屬分離上的應用 (The Application of Ionic Liquid and Supercritical Fluid on the Separation of Metal Species )

0413 1030~1200

星期三

清華大學化學系 沙晉康教授

Radical and Ionic Cyclizations of α-Indo Ketones

Applications in the Total Synthesis of Natural Products

0420 1030~1200

星期三

淡江大學化學系 王文竹教授

螺旋超分子

0427 1030~1200

星期三

東華大學化學系 劉福成教授

Organohydroborate Chemistry of Early Transition Metal Complexes

0504 1030~1200

星期三

台灣大學化學系 劉如熹教授

具零維核殼結構及一維奈米金屬合成與特性分析研究

0511 1030~1200

星期三

中研院基因體中心 楊安綏研究員

Artificial protein binders as antibody alternatives

0518 1030~1200

星期三

中正大學化學系 于淑君教授

未定

- 9 -

高雄大學應用化學系

93 學年度第(二)學期演講公告 演講地點為理工二演講廳

日期 時間 演 講 者 講 題

940310 (四) 0220

董騰元 教授

(中山大學 化學系) Design and Preparation of Molecular Wire and Motor

940317 (四) 0220

方冠榮 教授

(成功大學 材料科學及

工程學系)

Materials and its processing for advanced energy technologies

940414 (四)

0220

萬海威 董事長

(聯茂電子公司) To be announced

940428 (四)

0220

蔡文亮 教授

(高雄師範大學 化學系)

Molecular Design Synthesis Identification and Physical Properties of Liquid Crystals

940519 (四)

0220

游靜惠 教授

(清華大學 化學系)

Theoretical investment of Hydrogen Bond Cooperativity and Stable Triplet Biradicals

- 10 -

輔仁大學化學系

九十三學年度下學期專題演講時間表

日期 演講者 服務單位 演講題目

317 陳重裕 工研院化工所 化學品應用於光電產業的趨勢

與機會

324 周良奎 華邦電子 The application of CMP(Chemical Mechanical Polish) in IC fabrication

331 鍾崇燊 清華大學化學系 如何培育學生的化學創造力

407 王家麟 中央大學化學系 空氣中氣態有機汙染物的自動

量測與空氣汙染問題

414 陳錦地 中研院化學所 Maleimide Fluorophores and their Copolymers for Red Organic Light-Emitting Diodes

428 何子樂 交大應化所 Synthesis Design by Symmetry Considerations amp Chemical Riddles

505 林震煌 師大化學系 毛細管電泳線上濃縮堆積技術

的發展與應用 時間 星期四下午 140 地點 化學系 CH118 教室

- 11 -

國立中山大學化學系 九十三學年度第二學期專題演講

( 聯絡電話化學系 TEL(07)5252000 轉 3901) 日期時間 主 講 人 題 目 連絡人

940223 1410-1500

杜慶光 博士 美國佛羅里達大學藥學系

Proton Transfer in Carbonic Anhydrases 黃宣容

940302 1410-1500

陳生明 教授 台北科技大學化工系

薄膜修飾電極電催化及生物電化學 黃宣容

940309 1410-1500

蕭志農 博士

神隆股份有限公司 Chromatography in Process Chemistry 張彥誠

940316 1410-1500

張增輝 教授

美國紐約大學 New Method for Quantum Chemical Study of Proteins 陳國美

940323 1410-1500

洪文俊 所長 中山生醫所

Chemistry and Biology 謝建台

940330 1410-1500

徐秀福 教授 淡江化學系

液晶材料設計-從化學家的觀點切入 王志偉

940413 1410-1500

王先知 副所長 工研院化工所

工研院的奈米生醫研發 陳國美

940420 1410-1500

陸天堯 教授 台大化學系

Helical Double Stranded Polymers 周金興

940504 1410-1500

陳仲瑄 研究員 中研院基因體研究中心

Ultrasensitive Detection Technologies and their Biomedical Applications 黃宣容

940511 1410-1500

李漢文 教授 彰師大化學系

The Chemistry of Phosphine-functionalized N-heterocyclic

Carbene

梁蘭昌

940528 1410-1500

蕭世裕 教授 成大化學系

Preparation of Magnetic Nanoparticles as Drug

Carriers

周金興

940601 1410-1500

林達顯 教授 陽明大學生化所

Structural Determination of Apolipoprotein E and β-amyloid Peptide

丁尚武

演講地點理小劇場(理 1001)

- 12 -

國立暨南國際大學 應用化學系 93 學年度第二學期 演講公告

日期 時間 演講者 講題

94225 (五) PM320~500

林敬堯 (暨南大學應化系助理教授)

Tailoring Ethynyl Substituted Porphyrins for Photonic Electrochemical and Nano-Scale Related Researches

9434 (五) PM320~500

王忠茂 (台灣師範大學化學系教授)

Photoelectrochemistry on Zeolites

94311 (五) PM320~500

陳皓君 (中正大學化學暨生物化學系教

授)

Damage of DNA and ProteinsReactions and Analysis

94325 (五) PM320~500

裘性天 (交通大學應用化學系教授)

Growth of Inorganic Solids at the Interphase

9448 (五) PM320~500

周禮君 (中正大學化學暨生物化學系教

授)

Biosensors

94415 (五) PM320~500

葉晨聖 (成功大學化學系教授)

NanomaterialsMetal and Metal Oxide

94422 (五) PM320~500

林萬寅 (台灣大學化學系教授)

Mechanism and Chemiluminescence of Microperoxidase-Catalyzed Reactions

94429 (五) PM320~500

陳暉 (中央大學化材系教授)

均一粒徑高分子微粒子的製

備與其在光子晶體上之應用

9456 (五) PM320~500

黃賢達 (清華大學化學系教授)

Simultaneous Determination of Trace Elements in Urine by GFAAS

94520 (五) PM320~500

楊吉水 (中央大學化學系副教授)

The Photochemistry of N-Aryl-Substituted trans-4-aminostilbenes

94527 (五) PM320~500

蔡世榮 (工研院化工所高分子技術組

正研究員兼組長)

機能性染料之微波合成與應

9463 (五) PM320~500

陳幹男 (淡江大學化學系教授)

Curing Reaction and Functionalization of Agueous-based Polyurethane

地點科技一館 第一演講廳

- 13 -

朝陽科技大學應用化學系

93 學年度第(二)學期演講公告

未特別註明者演講地點為圖書館一樓演講廳

(學期中演講增刪或更新請以即期演講公告為準)

日期 時間 演 講 者 講 題

31

(二) 130 PM

阮若屈 教授

(中央大學化學工程與材料工

程學系)

Quantum Dot Biotechnology

38

(二) 130 PM

韓肇中 博士

(中央研究院原子與分子科學

研究所)

Diamond New Biomedical Material for the Post-genomic Era

329

(二) 130 PM

孫世勝 博士

(中央研究院化學研究所)

Fluorescent Conjugated Polymer-Based Chemosensors

426

(二)

130 PM

(教學大樓

T1-207)

洪豐裕 教授

(中興大學化學系系主任)

Palladium Catalyzed Coupling Reactions Using Cobalt-Containing Bulky Phosphine Ligands

503

(二)

130 PM

(教學大樓

T1-207)

許嘉生 董事長

(穀盛股份有限公司) 未定

531

(二) 130 PM

洪政雄 教授

(彰化師範大學化學系) 未定

67

(二) 130 PM

何佳安 教授

(暨南國際大學應用化學系)

Applications of Liposomes in Biomedicine and Diagnostics

0614

(二) 130 PM

吳立真 教授

(暨南國際大學應用化學系)未定

- 14 -

台大化學系暨化學研究推動中心

93 學年度第(二)學期演講公告

未特別註明者演講地點為浦大邦講堂

(學期中演講增刪或更新請以即期演講公告為準)

日期 演 講 者 講 題

推薦者

221 (一)

330

Prof Jean-Franccedilois CARPENTIER

(Universiteacute de Rennes 1)

Lanthanide Complexes Incorporating Fluorenyl-based Ligands Unusual Bonding

Modes and Unique initiators for syndiospecific styrene polymerization

陳竹亭 教授

222 (二)

400

Dr Hung-Wen Li (Mcgill Chemistry Canada)

Single-Molecule Mechanistic Study of DNA Repair Enzymes

陳竹亭 教授

223 (三)

330

(化四)

Dr Tsang Chi-Wing (Research Associate Univ of

British Columbia) Utilizing P=C bonds in Polymer Science

劉緒宗 教授

224 (四)

200

Prof Yong Hae Kim Distinguished Professor of

KAIST Dept of Chemistry Korea

Dramatic Stereofacial Control in Asymmetric Syntheses

陸天堯 教授

225 (五)

330

黃乃正 (香港中文大學)

The Chemistry of Hydroxytetraphenylenes

陸天堯 教授

31 (二)

200

Prof Seebach Dieter Synthesis and Structures of β-Peptides

陸天堯 教授

33 (四)

200

(會議室)

Dr Sarah Thomas Dr Robert Parker

Dr David Barr (英國皇家學會)

TBA

陸天堯 教授

33 (四)

315

(化四)

Prof Yoshito Takeuchi (Department of Chemistry

Faculty of ScienceKanagawa University)

Organogermanium ChemistrymdashA Wonderland of Heteroatom Chemistry

陳竹亭 教授

- 15 -

日期 演 講 者 講 題

推薦者

33 (四)

415

(化四)

Prof Wasuke Mori (Department of Chemistry

Faculty of ScienceKanagawa University)

Microporous Materials of Metal Carboxylates Gas-occlusion Properties Inclusion Complex

Formation with Organic Polymer and Catalytic Activities for Hydrogenation of Olefins

陳竹亭 教授

345 (五六)

全日

台灣瑞士雙邊有機合成研討會

陸天堯 教授

38 (二)

200

Prof Hung-Wen Liu Learning natures strategies for making unusual sugars

陸天堯 教授

310 (四)

200

Prof Luisa De Cola (Chair of Molecular

Photonic Materials Van t Hoff Institute for Molecular

Sciences (HIMS) Univ of Amsterdam The

Netherlands)

Covalently and NonCovalently Linked Molecular Wires

陸天堯 教授

310 (四)

330

Prof Jeffery I Zink (UCLA)

Nano-Structured Sol-Gel Materials and Functional Molecular Machines

陳昭岑 教授

317 (四)

330

Prof Atsunori Mori (東京工業大學資源化學研

究所副教授)

Transition Metal-Catalyzed Reactions of Alkynes and Heteroaromatic

Compounds

陸天堯 教授

325 (五)

330

Prof G Mehta TBA

陸天堯 教授

4 8 (五)

330

Prof Richard Taylor TBA

陸天堯 教授

415 (五)

200

Prof Oshio (Tsukuba University)

High-Spin molecules toward single-molecule magnets

彭旭明 教授

415 (五)

330

黃迪靖 博士 (國家同步輻射研究中心副

研究員)

Charge and Orbital Ordering in Transition-Metal Oxides

劉如熹 教授

- 16 -

日期 演 講 者 講 題

推薦者

422 (五)

330

林建村 博士 (中研院化學所)

Electro-optic Materialsfrom OLEDs to Photovoltaics

陸天堯 教授

429 (五)

330

Prof Vijay nair TBA

陸天堯 教授

56 (五)

330

林寬鋸 教授 (中興大學化學系)

1D-Semiconducting Metal OxidesSynthesis and Applications

陸天堯 教授

520 (五)

330

許千樹 教授 (交通大學應用化學系)

Nanostructure Enhanced Polymer Light Emitting Diodes

陸天堯 教授

63 (五)

330

孫仲銘 教授 (東華大學化研所)

微波合成抑制新生血管增生先導藥物分子庫

陸天堯 教授

610 (五)

330

蔡明道 博士 (中央研究院基因體中心)

TBA

陸天堯 教授

- 17 -

93 學年第二學期 國立東華大學化學系專題演講

週次 日期 演講者 演講題目 邀請者

3 311 呂宗昕 教授 台灣大學化工系

奈米科技與奈米世界 羅幼旭

4 318 林志彪 教授 東華大學化學系

TBA 化學系

5 325 曹英彥 博士 中油公司

Preparation Characterization and Applications of Zeolite-supported

Subnano Metallic Particles

林志彪

7 48 陳慶年 博士 NIH (USA)

Magnetic Resonance Imaging ndash from a chemistrsquos perspective

錢嘉琳

8 415 Dr Wei Gang

Metal Based Self-Assembly in Supramolecular Chemistry

化學系

9 422 裘性天 教授 交通大學應化系

Growth of Inorganic Solids at the Interphase

林志彪

13 520 王雲銘 教授 高醫應化系

Synthesis and characterization of bio-activated contrast agents for Magnetic Resonance Imaging

劉鎮維

14 527 Prof John Z H ZhangNew York Univ

New Quantum Computational Study of Proteins

張秀華

15 63 林震煌 教授 臺灣師範大學化學系

毛細管電泳線上濃縮技術的發展

與應用 何彥鵬

16 610 李衍彰 教授 彰化師範大學化學系

Synthesis of the natural products as anti-tumor agents

註每週五下午 310pm-500pm

理二講堂

- 18 -

淡江大學化學系 93 學年度第(二)學期演講公告 演講時間每週一下午 210~400演講地點教育館 (Q-409)

日期 時間 演講者 演講題目

221(一) 210~400 傅達勳 危險物及毒化物之認識與運作

307(一) 210~400 Prof Yoshito Takeuchi(Kanagawa University)

Organogermanium Chemistry-A Wonderland of Heteroatom Chemistry

314(一) 210~400 張增輝教授 (美國紐約大學)

321(一) 210~400 施增廉 (淡江大學化學系)

Syntheses of a New Trihydroxy Piperidine Derivative Quercitols and Azepanes for Glycosidase Inhibitors from D-(-)-quinic Acid

328(一) 210~400 陳振漢

(國防醫學院生物晶片

中心)

蛋白質體技術之發展與應用

418(一) 210~400 林唯芳教授 (台大材料系)

分子奈米材料及元件應用

425(一) 210~400 刁維光副教授 (交大應化所)

紫質分子在奈米結構中的光物理與光化學

502(一) 210~400 楊禮明教授 (中國醫藥研究所)

509(一) 210~400 劉廣定教授 (台大化學系)

永續化學與液晶製備

516(一) 210~400 林倫年副研究員 (台大凝態中心)

523(一) 210~400 翁啟惠院士 (中研院)

化學生物與後基因時代之研究

530(一) 210~400 曾惠芳助理教授 (暨大應化系)

毛細管電泳在生化分析上的應用

606(一) 210~400 侯敦仁助理教授 (中央大學化學系)

合環歧化(Ring-Closing Metathesis)之合成

應用

613(一) 210~400 謝明發研究員 (工研院)

The polymeric nano-particles for drug delivery vehicles

- 19 -

中原大學化學系

93 學年度下學期-「學術專題演講」日程表

時間每週三 1500-1630

地點理學館 1樓講堂

主持人葉華光老師 聯絡電話03-2653305 日期 講員 標題 負責

實驗室

223 休息

32 中研院化學研究

所孫世勝博士 Fluorescent Conjugated Polymer-Based Chemosensors

楊千金老師

Lab

39 休息

316 中興大學化學系

林寬鋸教授

未定 葉華光老師

Lab

323 休息 (運動會)

330 南台科技大學

林鴻儒教授 Porous Scaffolds for Bone Tissue Engineering

李世琛老師

Lab

46 休息 (校外實習週)

413 台大醫學院

藥學研究所

李水盛教授

未定 蔡宗燕老師

Lab

420 休息 (期中考)

427 國立陽明大學

周成功教授 How to Struggle with a Novel Gene in the Genome Era

葉瑞銘老師

Lab

54 東吳大學

傅明仁教授 Drug analysis by LC-ES-MS

蔡祐輔老師

Lab

511 休息

518 休息

525 國立成功大學

林弘萍教授

中孔洞氧化矽和碳材料合成與應用 江彰吉老師

Lab

61 華邦電子

周良奎經理

The application of CMP in IC Fabrication

陳玉惠老師

Lab

68 清華大學化學系

劉行讓教授 Reductive Decyanation A Powerful Tool in Organic Synthesis

黃悉雅老師

Lab

615 休息

備註1 請各場次負責的實驗室於演講前做好教具測試 2 自本學期起各場次負責之實驗室僅提供茶水不再準備點心

- 20 -

國立嘉義大學應用化學系 九十三學年度第二學期演講公告

(學期中演講增刪或更新請以即期演講公告為準)

日期 時間 演 講 者 講 題

223

(三) pm1520

~1700 陳勁初主任 (葡萄王生技中心主任)

生技保健食品開發

302

(三) pm1520

~1700 陳泊余教授(高雄醫學大學 醫藥暨應用化學系)

The application of ionic liquids in electrochemistry

316

(三) Pm1520

~1700 陳焜銘教授 (師範大學化學系)

The development of camphor derived chiral ligands for asymmetric reactions

323

(三) pm1520

~1700 何佳安教授 (暨南大學化學系)

Liposome in Diagnostic Microbiology

330

(三) pm1330

~1510 夏克山博士 (國家衛生研究院)

Discovery of New Stem Cell Mobilizers Antagonizing CXCR4 Chemokine Receptor

406

(三) pm1520

~1700 陳幹男教授 (淡江大學化學系)

Hybridization of Aqueous-based Polymers

413

(三) pm1520

~1700 汪炳鈞教授 (清華大學化學系)

Asymmetric Synthesis Using Camphor Derived Chiral Ligands

504

(三) pm1520

~1700 林震煌教授 (師範大學化學系)

毛細管電泳線上濃縮技術的發展

與應用

427

(三) pm1520

~1700 劉英麟教授 (中原大學化工系)

應用二氧化矽奈米粒子於高分子

材料改質

註演講地點在工程館四樓視聽教室

- 21 -

中 央 研 究 院 化 學 研 究 所 INSTITUTE OF CHEMISTRY ACADEMIA SINICA

學 術 演 講 (Chemistry Colloquium)

0106 (四) 1530

唐本忠教授 香港科技大學 (推薦人 陶雨台教授) Light-Emitting Polyenes Polyynes and Polyarylenes

0110 (一) 1530

Prof Rudy Marcus California Institute of Technology USA (推薦人 許昭萍教授) Puzzling phenomena in the fluorescence intermittency of single quantum dots theory and experiment (地點 周大紓講堂)

0114 (五) 1530

Prof Samson A Jenekhe University of Washington USA (推薦人 陶雨台教授) Organic Electronics and Optoelectronics

0125 (二) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Design and Synthesis of Tumor-Targeting Boron Molecules

0126 (三) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Chemistry of Bis-π-allylpalladium for Organic Synthesis

0127 (四) 1530

Prof Teruo Shinmyozu Kyushu University Japan (推薦人 周大新教授) Synthesis Structure and Photochemical Properties of [3n]Cyclophanes (n = 2-6)

0129 (六) 功能性有機化合物的分子建構 小型研討會

0202 (三) 1530

曾志明教授 國立中興大學 (推薦人 陳錦地教授) Addressing grand energy challenges through advanced materials

0203 (四) 1030

江明錫博士 國立清華大學 (Interview Talk) f-ion speciation and d-f interaction toward electrocatalysis LnAn-polyoxotungstates

0218 (五) 1030

Dr Tiow-Gan Ong University of Ottawa Canada The stories of rationally designing a Guanidinate transition metal Complexes and constructing a Stable Carbene with a Novel Topology and Electronic Framework Their Role in Catalysis

0221 (一) 1030

Dr Chi-Wing Tsang University of British Columbia Canada (Interview Talk) Carborane - A New Weakly Coordinating Anion Utilizing P=C bonds in Polymer Chemistry

0225 (五) 1030

Dr Chen-Hsiung Hung National Changhua University of Education Metal Assisted Small Molecule Activations Using Porphyrin Analogues or NNO-Scorpionates as Ligands

0226 (六) 周大紓先生紀念研討會 (Ta-shue Chou Memorial Lecture) (地點 周大紓講堂)

0301 (二) 1030

Dr Wen-Yuan Hsieh Purdue University Synthesis Characterization of monomeric and dimeric Mn complexes

0302 (三) 1400

Prof Peter Chen Swiss Federal Institute of Technology Zurich Switzerland (推薦人 陸天堯教授) Organometallic Chemistry by ESI-MSMS High Valent Oxo Complexes Diolates Metallaoxetanes and Carbenes

0302 (三) 1530

Dr Sarah Thomas Royal Society of Chemistry Publishing Why Where and How (地點 周大紓講堂)

- 22 -

0303 (四) 1430

Prof Pierre Vogel Swiss Federal Institute of Technology Lausanne Switzerland (推薦人 陸天堯教授) Carbohydrate Mimetics Synthesis of C-Disaccharides Imino-C-disaccharides and Analogs and their Biological Properties

0303 (四) 1530

Prof Jay S Siegel University of Zurich Switzerland (推薦人 陸天堯教授) Cheap Fast and Out of Control Rationale for Combinatorial Chemistry

0304-05

第一屆台灣-瑞士雙邊有機合成研討會 Joint Swiss-Taiwanese Meeting ldquoFrontiers in Organic Synthesisrdquo (地點 國立台灣大學 原分所浦大邦演講廳)

0309 (三) Symposium

ldquoPhysical Studies on Photo- or Electron-responsive Materials 0310(四)

1400 陳月枝教授 國立交通大學 (推薦人 陳玉如教授) Title to be annouced

0324(四) 1530

王惠鈞所長 中研院生化所 (推薦人 陳長謙所長) Title to be announced

0407(四) 1530

Prof Richard Taylor University of York (推薦人 陸天堯教授) Title to be announced

0421(四) 1530

Prof Biswanath Das Indian Institute of Chemical Technology India (推薦人 畢爾曼教授) Investigation on Some Fundamental Reactions

地點A108 會議室 Revised on February 21 2005

- 23 -

國立彰化師範大學化學系九十三學年下學期專題演講一覽表

時間 演講者 服務單位 演講題目 地點 推薦人

411

pm 200 林建村

中央研究

院化學所 Electro-optic Materials from OLEDs to photovoltaics

藝薈館

系演講廳 李漢文

418

pm200 梁博煌

中央研究

院生化所 Anti-infectious drug discovery藝薈館

系演講廳 李衍彰

425

pm200 傅傳博

暨南大學

應化系 Development of Magnetic Separation for Analytical Chemistry

藝薈館

系演講廳 林秋薰

59

pm 200 蔡易州

清華大學

化學系 The power of Meal-Metal Multiple bonds

藝薈館

系演講廳 黃瑞賢

516

pm200 孫仲銘

東華大學

化學系 微波抗腫瘤藥物分子庫合成藝薈館

系演講廳 李衍彰

523

pm200 許昭萍

中央研究

院化學所 Electronic Coupling for electron transfer methods and applications

藝薈館

系演講廳 胡景瀚

66

pm200 林敬堯暨南大學

應化系

Tailoring ethynyl substituted porphyrins for photonic electrochemical and nano-related researches

藝薈館

系演講廳 洪政雄

613

pm200 莊琇惠

高雄大學

應化系 Chemical Vapor Deposition of Hafnium Oxonitride as High-k Materials

藝薈館

系演講廳 黃瑞賢

- 24 -

- 25 -

- 26 -

- 27 -

- 28 -

- 29 -

- 30 -

國科會化學推動中心補助學術研討會成果報告表

會議名稱94 年第一次國科會分析化學小組研討會

舉辦日期民國 94 年 2 月 19 日 至 民國 94 年 2 月 19 日

主辦機構國立中醫藥研究所國科會分析化學小組主持人蔡東湖傅明仁

舉辦地點國立中醫藥研究所 聯絡電話 02-2820 1999 ext 8091

出席人數工業界 人學術界(含學生) 110 人 共 110 人

會議重要成果 (如篇幅不足另以A4白紙填寫)

會議經過及議程

0900~0930 報到 0930~0940 主席國科會分析化學小組召集人傅明仁教授 0940~0950 致歡迎詞吳天賞教授 國立中醫藥研究所所長 0950~1040 專題演講食品中 acrylamide 之分析 周薰修博士 藥物食品檢驗局 主持人傅明仁教授 (東吳大學化學系) 1040~1110 茶點時間 1110~1200 專題演講哺乳動物體內 D-乳酸的分析 李仁愛助理教授 台北醫學大學藥學系

主持人蔡東湖教授 (國立中醫藥研究所) 1200~1320 中餐休息 1320~1410 專題演講利用分子轉印技術在人體肝臟細胞中重金屬中毒的飛 行式二次離子質譜儀(TOF-SIMS)離子影像分析研究 麥富德助理教授 中山醫學大學應用化學系

主持人李茂榮教授 (中興大學化學系) 1410~1500 專題演講具奈米結構之鋰電池電極材料研製與電化學析 劉茂煌助理教授 輔大化學系 主持人何國榮教授 (台灣大學化學系) 1500~1530 茶點時間 1530~1630 綜合座談跨領域幹細胞整合計畫

陳甫州教授 台中榮民總醫院 1630- 會議結束

- 31 -

重要收穫及心得

藉由此次會議接觸到來自各方的學術研究同仁也許各自專長的領域不盡相同但

對於分析化學的研究與應用有著彼此相同的努力目標相互的討論及觀摩不僅僅是成果

的分享更進一步帶來跨領域的合作靈感與契機

近來科學的發展已不再只靠一個人或一間實驗室單打獨鬥不同領域的結合發展漸

成顯學資訊與技術的交流也許會產生比預期更巨大的突破以生物科學這一個大的範

疇為例若缺少化學物理與數學的助益恐怕連傳統遺傳學理論都無法發展以古視今

現今各個次領域都擁有其各自的專長就跨領域幹細胞整合計畫而言只包含分生生理

的人才絕對不足分析化學甚至藥學的知識與技術也有其立足之地國科會分析化學小組

研討會就提供了這麼一個交流與合作的園地結合彼此的力量共同思考更遠大的未來 建議

首先先謝謝國科會化學推動中心的支持國科會分析化學小組的努力及國立中醫藥

研究所的配合使此次會議圓滿完成由於報名踴躍就一個一百多人參與的會議來說

此次補助的經費似乎稍嫌不足扣除演講者的講費及與會者的午餐其餘所剩無幾故將

來補助款若能依參與人數的多寡而稍做調整相信主辦機構能夠為與會者提供更好的服務

- 32 -

訪問教授訪問報告表

姓名 Prof Jean-Franccedilois Carpentier

訪問日期民國 94 年 2 月 20 日 至 民國 94 年 2 月 24 日

接待機構 清華大學化學系 接待人 季昀 教授 聯絡電話 (03) 5712956

訪問重要成果 (如篇幅不足另以A4白紙填寫)

1訪問經過

Prof Jean-Franccedilois Carpentier 於 20 日晚間抵達台灣經過一個晚上的短暫

休息星期一早晨赴台大化學系訪問中午與學生共進午餐交換研究心得並瞭解

該校研究狀況星期二赴淡江化學系訪問中午與晚間分別與學生與教員共進午晚

餐交換研究心得並瞭解該校研究近況並談及如何共同申請中法國際合作專案

星期三赴清大化學系訪問中午與該系教員共進午餐交換研究心得並瞭解該校研

究狀況晚間則回返回台北參觀一年一度的台北國際燈會星期四上午安排私人的

自由活動並赴台北市旅遊景點參訪晚間搭乘飛機離台

2演講行程及概要

2 月 21 日台灣大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 22 日淡江大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 23 日清華大學化學系Towards Green Plastics via Stereoselective Polymerization

of rac-Lactide with Discrete Group 3 Metal Complexes

3 重要收獲及心得

瞭解國際學術界在過渡金屬錯合物鑭系稀土錯合物的合成化學與催化反應方面的前

瞻進展狀態

並為建立合適管道執行未來國際學術合作促進國與國間的人員互動人員的相互

了解而努力

4其他意見

- 33 -

訪問教授訪問報告表

- 34 -

訪問教授訪問報告表

- 35 -

訪問教授訪問報告表

姓名Luis A Marky 教授 University of Nebraska Medical Center

訪問日期民國九十三年十二月四日至十一日

接待機構中央研究院 接待人甘魯生 聯絡電話02 2789 8550

訪問重要成果

訪問經過

Luis Marky 教授早年追隨熱力學

大師 Ken Breslauer之後為紐約

市大學及內布拉斯加州立大學

網羅是一位核酸熱力學專家

其論文發表在 J Am Chem Soc

Biochemistry Nucleic Acids Res

Methods Enzymol等知名國際專業雜誌上Marky 教授早在博士後研究員時即與本

人相識研究領域也相近一直有和他合作共同研究核酸的性質及結構的想法

他也對我們台灣非常友善此次有幸得到化學中心的資助得以邀請 Marky 來台

一方面洽談合作事誼一方面和國內學者及學生會談增進交流宣導有關核酸方

面的研究Marky 教授在短短一週內訪問了四所學術機構也以四個不同的題材

發表了四場學術演講次數相當密集把這次訪問推到最高峰幸好 Marky 教授

並不以為苦所以是一次成功的訪問 演講行程及概要

十二月四日星期六抵台

十二月五日星期日轉赴花蓮

十二月六日星期一

訪問國立東華大學

以ldquoDNA Hairpin Loops Folding Ligand Binding and Hydrationrdquo為題發表專題演講

- 36 -

十二月七日星期二

訪問中央研究院

以rdquoThermodynamics of DNA Triplexes Contributions of Base-Triplet Stacks and Base

Methylationrdquo為題發表專題演講

十二月八日星期三

訪問國立中正大學

以ldquoThermodynamics of DNA Triplexes Containing C-glycosides Basesrdquo為題發表專題

演講

十二月九日星期四

參觀故宮博物院

十二月十日星期五

訪問國立清華大學

以ldquoSherlock Holmesrsquos Adventures with Nucleic Acidsrdquo 為題發表專題演講

十二月十一日離台

重要收獲及心得

Marky 教授在信中稱他對四所訪問的學術機構中央研究院國立東華大學國

立中正大學及國立清華大學的教學及研究都有深刻的印也意外的面試了一位東

華生科所的學生準備收為研究生這是一件互惠之事Marky 教授也非常希望

能和我們合作共同研究

其他意見

(請見 Luis Marky 教授信)

- 37 -

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

目 錄

最新消息 ----------------------------------------------------------- 1

各校演講公告 ----------------------------------------------------- 3

研討會報告 -------------------------------------------------------- 24

訪問教授報告 ----------------------------------------------------- 32

- 1 -

最 新 消 息 一3月1日「化學學門規劃討論會」重新把學門規劃拓展為八個方向如下

1 先進材料化學2 環境化學與能源化學3 先進量測4 理論化學5 生物及醫藥化學 6 先進分析方法7 合成化學8 分子設計化學正在草擬中

二第187次(940301)中心審議會會議決議 (一) 同意補助下列三位教授為中心訪問教授生活費補助以不超過七天為限並須給三

場以上學術演講及繳交訪問報告 姓名來訪日期及 連絡人

主 要 專 長 現 職 備 註

1Dario M Bassani 94813-820 汪根欉教授

光化學與巨分子化學 法國波爾多大學

CNRS 研究員 補助副教授級

生活費及機票

費 2Joseph M OrsquoConnor 94530-65 劉瑞雄教授

有機金屬及催化反

應 美國加州大學聖地牙

哥分校教授 補助教授級生

活費及機票費

3A Gonzalez Ureňa 94620-627 林金全教授

1 氣態反應動態學 2 雷射光譜研究 3 氣態分子的表面反

Prof Univ of Complutense Madrid 西班牙

補助教授級生

活費及機票費

(二) 同意推薦下列五位教授為國科會國際科技人士短期訪問教授生活費補助以不超過

為限並須給三場以上學術演講及繳交訪問報告 姓名來訪日期及 連絡人

主 要 專 長 現 職 備 註

1Thomas J Martin 94815-820 林俊成博士

Deoxy sugar 的合成 唾液酸醣(sialic acid)化學藥物設計開發與

合成

Senior Research Scientist Department of Chemistry ALTANA Pharma Group

補助教授級生活費及機票費

2Michinori Suginome 94619-626 梁文傑教授

有機金屬有機合成

高分子合成 日本京都大學教授 補助教授級生

活費及機票費

3Aharon Gedanken 94617-621 陳水田教授

Sonochemistry Microwave heating Sonoelectrochemistry

Professor Bar-Ilan Univ Israel

補助教授級生活費及機票費

4Hajime Yamamoto 94815-820 劉如熹教授

Solid state physics and chemistry Phosphors for display

Professor Tokyo University of Technology Japan

補助教授級生活費及機票費

5Hiroaki Sasai 94523-526 劉行讓教授

Organic Chemistry 日本大阪大學教授 補助教授級生活費及機票費

- 2 -

(三) 同意推薦「第五屆海峽兩岸催化學術研討會」為國科會兩岸學術科技研討會並建 議補助金額三十五萬元

(四) 同意補助下列研討會經費如下

會議名稱 補助金額 備 註 1第十一屆分析化學技術交流研討會 25000 元 2第二十三屆台灣區觸媒與反應工程 研討會

25000 元

3無機化學研討會 請補詳細議程後再審查 4無機錯鹽化學小組研討會 25000 元

- 3 -

中研院原分所與台大化學系九十三學年度第二學期演講

日期 演講者 講題 0224 (四)

1530

林唯芳教授 (台灣大學材料所)

Organic Solar Cell 有機太陽能電池

0303 (四)

1530

孟心飛教授 (交通大學物理所) Physics and Devices of Conjugated Polymers

0324 (四)

1530

Prof Michel Herman (Universiteacute Libre de Bruxelles Belgium)

Recent Developments in High Resolution Fourier Transform Spectroscopy From Atmospheric Fingerprints to Vibrational Alchemy

0331 (四)

1530

倪衛新主任 (國家奈米元件實驗室) (To be announced)

0407 (四)

1530

Prof John Zhang (張增輝教授) (Department of Chemistry New York University USA)

An Efficient New Approach for Quantum Calculation of Proteins

0414 (四)

1530

游靜惠教授 (清華大學化學系)

Theoretical Investment of Hydrogen Bond Cooperativity and Stable Triplet Biradicals

0421 (四)

1530

白果能博士 (中央研究院生醫所)

High Sensitivity and High Throughput Detection of Viruses

0428 (四)

1530

吳天鳴教授 (交通大學物理所) (To be announced)

0505 (四)

1530

林寬鋸教授 (中興大學化學系)

Navigating Artificial Muscle on ID Supramolecular Systems

0512 (四)

1530

Prof Jack Saltiel (Florida State University USA)

The Photophysics and Photochemistry of Diphenylhexatriene Overcoming Nonlinear Effects in Spectral Resolution

0519 (四)

1530

張玉明博士 (台灣大學凝態科學研究中心)

Electron Accumulation in the Near Surface Region of InN

0526 (四)

1530

吳益群教授 (台灣大學分子細胞生物學研究

所)

Cell Death in C Elegans Gene Discovery and Functional Analysis

0602 (四)

1530

張瑛芝博士 (中央研究院基因體研究中心)

Grafted Polypeptide Assisted Thin Film Fabrication at Planar Solid Surfaces

0609 (四)

1530

Prof John Zhang (張增輝教授) (Department of Chemistry New York University USA)

Computational Study for Protein-ligand Binding and Drug Design

- 4 -

國立中央大學化學系九十三年度第二學期專題演講

時間 演講人 單 位 講 題 地點 邀請人 邀請人分機

0304 林弘萍 成大化學系 中孔洞碳材之合成與

應用 S5-101 高憲明 65932

0311 傅明仁 東吳化學系 Drug Analysis by LC-ES-MS

S5-101 丁望賢 65905

0315 Atsunori Mori

東京工業大學 Transition Metal-Catalyzed

Reactions of Alkynes and Heteroaromatic

Compounds

S5-101 楊吉水 65925

0318 王心心 工研院化工所 光電用染料及其應用 S5-101 楊吉水 65925 0325 楊定亞 東海化學系 Synthesis of

4-hydroxycoumarin derivatives and its

applications

S5-101 侯敦仁 65981

0408 林英智 台大化學系 Organometallic complexes containing

unsaturated three-membered ring

ligand

S5-101 陳銘洲 65943

0415 黃炳照 台科大 過量鋰層狀陰極材料

異常充放電機構 S5-101 諸柏仁 65902

0506 王立義 台大凝態 Development of donoracceptor hybrid materials for organic

solar cell

S5-101 吳春桂 65903

0513 Jack Saltiel

美國佛羅里達

大學 From Photoisomerism

and Rotamerism to Bacteriorhodopsin

S5-101 楊吉水 65925

0520 胡景瀚 彰師大化學系 未定 S5-101 張伯琛 65908 0527 李度 中大化材系 Biomimetic

crystallization from evolution to revolution

S5-101 李光華 65930

- 5 -

國立台灣師範大學化學系九十三學年第二學期專題演講

日期 主講者 題目 邀請人 演講場地

3 月 3 日

瑞士理工大學 Prof Eric Carreira Prof Phillippe Renaud

未定 陳建添教授 F322

3 月 4 日 日本神奈川大學化

學系 竹內敬人教授

Organogermanium Chemistry-A Wonderland of Heteroatom Chemistry

葉名倉教授 F322

3 月 14 日 莊哲仁 博士 Pharmaceutical Process

Development 藥物製程開發

謝明惠教授 E302 教

(1) 台大生工系 廖秀娟教授

未定

王忠茂教授

E302 教

3 月 21 日 (2) 印度國家科學

院院長 Prof Metha (印度)

未定 陳建添教授 E302 教

3 月 28 日 同步輻射中心 許火順博士

蜘蛛絲裡的奈米晶體 洪偉修教授 E302 教

室 台灣科技大學化工

系 黃炳照教授

未定 王忠茂教授

4 月 11 日

Prof Richard Tayler 陳建添教授

E302 教

4 月 18 日 國立交通大學應化

陳月枝教授

未定 林震煌教授 E302 教

中研院原分所 曾文碧教授

未定 何嘉仁教授 4 月 25 日

Prof Vijay Nair 陳建添教授

E302 教

5 月 16 日 東華大學化學系 林志彪教授

Metal containing liquid crystals based on imidazoles

謝明惠教授 E302 教

6 月 6 日 中正大學化學系 洪伯誠教授

未定 陳焜銘教授 E302 教

6 月 13 日 暨南大學應用化學

系 何佳安教授

未定 林震煌教授 E302 教

時間(星期一) 第一場 PM 210 第二場 PM 330

以附註者之演講時間為星期三 900~1030 am 歡迎系上教職員生踴躍參加 附註資料陸續更新中請見本系網頁的系公佈欄的專題演講

- 6 -

成功大學化學系 93 學年下學期 專題演講 題目

日期 NAME 服務單位 職稱 題目 主持人

3 2 PM210

日 杜慶光 Univ of Florida 教授 Proton Transfer in Carbon Anhydrases 孫亦文

3 9 PM210

日 林俊成 中央研究院

化學所 副研究員 Synthesis of Complex Carbohydrate and

Application of Carbohydrate Encapsulated Nanoparticle and Microarray

黃得時

316 PM210

日 PM610

陳甫州 台中榮總醫研部 教授 腦中風動物模式與幹細胞治療研究 陳淑慧 桂椿雄

323 PM210

日 Michael Herman 國科會訪問教授 教授 未定 葉晨聖

330 PM210

日 PM610

周錦生 亞洲基因科技 (股)公司 總經理 Advancement of Molecular Diagnostics 葉晨聖

413 PM210

日 許桂芳 成功大學化學系 助理教授 熱電材料的合成與應用 黃文亮

420 PM210

日 高憲明 中央大學化學系 副教授 Synthesis and Characterization of

Mesoporous Silica SBA-1 葉晨聖

420 PM610

夜 鄭豐裕 成功大學化學系 博士候選人

Synthesis of Magnetic Nanoparticles and its Application in Biomedicine 葉晨聖

511 PM210

日 鄭豐裕 成功大學化學

系 博士候選人Synthesis of Magnetic Nanoparticles and

its Application in Biomedicine 葉晨聖

518 PM210

日 胡景瀚 彰化師範大學

化學系 教授 Theoretical Study on the Catalysis of N-heterocyclic Carbenes 葉晨聖

525 PM210

日 邱惠琪 成功大學化學

系 博士後研究

員 A study of Novel electrodes of the Reduction of

Oxygen and the Determination of CO2 孫亦文

- 7 -

國立高雄師範大學化學系93學年度第二學期演講公告 日 期 時 間 演 講 者 講 題

314 (一) 1430

丁尚武 教授

中山大學化學系

Applications of solid state NMR spectroscopy and imaging in the studies of materials and biological systems(固態核磁共振光譜和影

像在研究材料和生物系統中的應用)

321 (一) 1430

陳振興 教授

高雄大學應用化學系

利用旋轉環狀圓盤電極探討鋰離子二次

電池中鋰錳電極材料容量的衰退與錳離

子溶解之關係

331 (四) 1430

蔡厚仁 教授

中正理工學院應用化學系

從含氟的Ylides合成單氟及雙氟烯類化

合物

47 (四) 1430

傅明仁 教授

東吳大學化學系 Drug Analysis by LC-ES-MS

418 (一) 1430

潘樹德 技術經理

中環科技事業有限公司 環境污染物檢測

428 (四) 1430

何君艷 副理

財團法人中興工程顧問

社環境工程研究中心 環境檢驗化學

516 (一) 1430

徐秀福 教授

淡江大學化學系 從化學家的角度切入液晶材料之設計

530 (一) 1430

許鏵芬 教授

成功大學化學系 Vanadium chemistry relevant to the biological system

- 8 -

國立中興大學化學系演講日程表

地點化學館 1 樓視聽教室 (93 學年度下學期)930201 時 間 演 講 人 演 講 題 目

0223 1030~1200

星期三

Postdoctoral Associate with Professor John F Hartwig at Yale University

李進發博士

1 From Propargylic Dithioacetals to 235-trisubstituted Furans

Toward Molecular Nanowire

2 Synthesis and Applications of Fluoroalkylphosphines 0302

1030~1200 星期三

嘉南藥理科技大學 王來好教授

Developments in Electrochemical Detection for Liquid Chromatography in Medicine and Chemistry

0309 1030~1200

星期三

中興大學 生物醫學研究所

闕斌如教授

A Tumor-Associated Cellular Target for the Anticancer Actions of Capsaicin and Green Tea Catechin

0316 1030~1200

星期三

淡江大學化學系 徐秀福教授

Design and Properties of Liquid Crystals with Board-like and Disk-like Cores

0323 1030~1200

星期三 黃聖言博士

Dynamics of Supercooled Water in Confinement

0330 1030~1200

星期三

國科會自然處 瞿港華副研究員

綠色溶液-離子液體與超臨界流體在金屬分離上的應用 (The Application of Ionic Liquid and Supercritical Fluid on the Separation of Metal Species )

0413 1030~1200

星期三

清華大學化學系 沙晉康教授

Radical and Ionic Cyclizations of α-Indo Ketones

Applications in the Total Synthesis of Natural Products

0420 1030~1200

星期三

淡江大學化學系 王文竹教授

螺旋超分子

0427 1030~1200

星期三

東華大學化學系 劉福成教授

Organohydroborate Chemistry of Early Transition Metal Complexes

0504 1030~1200

星期三

台灣大學化學系 劉如熹教授

具零維核殼結構及一維奈米金屬合成與特性分析研究

0511 1030~1200

星期三

中研院基因體中心 楊安綏研究員

Artificial protein binders as antibody alternatives

0518 1030~1200

星期三

中正大學化學系 于淑君教授

未定

- 9 -

高雄大學應用化學系

93 學年度第(二)學期演講公告 演講地點為理工二演講廳

日期 時間 演 講 者 講 題

940310 (四) 0220

董騰元 教授

(中山大學 化學系) Design and Preparation of Molecular Wire and Motor

940317 (四) 0220

方冠榮 教授

(成功大學 材料科學及

工程學系)

Materials and its processing for advanced energy technologies

940414 (四)

0220

萬海威 董事長

(聯茂電子公司) To be announced

940428 (四)

0220

蔡文亮 教授

(高雄師範大學 化學系)

Molecular Design Synthesis Identification and Physical Properties of Liquid Crystals

940519 (四)

0220

游靜惠 教授

(清華大學 化學系)

Theoretical investment of Hydrogen Bond Cooperativity and Stable Triplet Biradicals

- 10 -

輔仁大學化學系

九十三學年度下學期專題演講時間表

日期 演講者 服務單位 演講題目

317 陳重裕 工研院化工所 化學品應用於光電產業的趨勢

與機會

324 周良奎 華邦電子 The application of CMP(Chemical Mechanical Polish) in IC fabrication

331 鍾崇燊 清華大學化學系 如何培育學生的化學創造力

407 王家麟 中央大學化學系 空氣中氣態有機汙染物的自動

量測與空氣汙染問題

414 陳錦地 中研院化學所 Maleimide Fluorophores and their Copolymers for Red Organic Light-Emitting Diodes

428 何子樂 交大應化所 Synthesis Design by Symmetry Considerations amp Chemical Riddles

505 林震煌 師大化學系 毛細管電泳線上濃縮堆積技術

的發展與應用 時間 星期四下午 140 地點 化學系 CH118 教室

- 11 -

國立中山大學化學系 九十三學年度第二學期專題演講

( 聯絡電話化學系 TEL(07)5252000 轉 3901) 日期時間 主 講 人 題 目 連絡人

940223 1410-1500

杜慶光 博士 美國佛羅里達大學藥學系

Proton Transfer in Carbonic Anhydrases 黃宣容

940302 1410-1500

陳生明 教授 台北科技大學化工系

薄膜修飾電極電催化及生物電化學 黃宣容

940309 1410-1500

蕭志農 博士

神隆股份有限公司 Chromatography in Process Chemistry 張彥誠

940316 1410-1500

張增輝 教授

美國紐約大學 New Method for Quantum Chemical Study of Proteins 陳國美

940323 1410-1500

洪文俊 所長 中山生醫所

Chemistry and Biology 謝建台

940330 1410-1500

徐秀福 教授 淡江化學系

液晶材料設計-從化學家的觀點切入 王志偉

940413 1410-1500

王先知 副所長 工研院化工所

工研院的奈米生醫研發 陳國美

940420 1410-1500

陸天堯 教授 台大化學系

Helical Double Stranded Polymers 周金興

940504 1410-1500

陳仲瑄 研究員 中研院基因體研究中心

Ultrasensitive Detection Technologies and their Biomedical Applications 黃宣容

940511 1410-1500

李漢文 教授 彰師大化學系

The Chemistry of Phosphine-functionalized N-heterocyclic

Carbene

梁蘭昌

940528 1410-1500

蕭世裕 教授 成大化學系

Preparation of Magnetic Nanoparticles as Drug

Carriers

周金興

940601 1410-1500

林達顯 教授 陽明大學生化所

Structural Determination of Apolipoprotein E and β-amyloid Peptide

丁尚武

演講地點理小劇場(理 1001)

- 12 -

國立暨南國際大學 應用化學系 93 學年度第二學期 演講公告

日期 時間 演講者 講題

94225 (五) PM320~500

林敬堯 (暨南大學應化系助理教授)

Tailoring Ethynyl Substituted Porphyrins for Photonic Electrochemical and Nano-Scale Related Researches

9434 (五) PM320~500

王忠茂 (台灣師範大學化學系教授)

Photoelectrochemistry on Zeolites

94311 (五) PM320~500

陳皓君 (中正大學化學暨生物化學系教

授)

Damage of DNA and ProteinsReactions and Analysis

94325 (五) PM320~500

裘性天 (交通大學應用化學系教授)

Growth of Inorganic Solids at the Interphase

9448 (五) PM320~500

周禮君 (中正大學化學暨生物化學系教

授)

Biosensors

94415 (五) PM320~500

葉晨聖 (成功大學化學系教授)

NanomaterialsMetal and Metal Oxide

94422 (五) PM320~500

林萬寅 (台灣大學化學系教授)

Mechanism and Chemiluminescence of Microperoxidase-Catalyzed Reactions

94429 (五) PM320~500

陳暉 (中央大學化材系教授)

均一粒徑高分子微粒子的製

備與其在光子晶體上之應用

9456 (五) PM320~500

黃賢達 (清華大學化學系教授)

Simultaneous Determination of Trace Elements in Urine by GFAAS

94520 (五) PM320~500

楊吉水 (中央大學化學系副教授)

The Photochemistry of N-Aryl-Substituted trans-4-aminostilbenes

94527 (五) PM320~500

蔡世榮 (工研院化工所高分子技術組

正研究員兼組長)

機能性染料之微波合成與應

9463 (五) PM320~500

陳幹男 (淡江大學化學系教授)

Curing Reaction and Functionalization of Agueous-based Polyurethane

地點科技一館 第一演講廳

- 13 -

朝陽科技大學應用化學系

93 學年度第(二)學期演講公告

未特別註明者演講地點為圖書館一樓演講廳

(學期中演講增刪或更新請以即期演講公告為準)

日期 時間 演 講 者 講 題

31

(二) 130 PM

阮若屈 教授

(中央大學化學工程與材料工

程學系)

Quantum Dot Biotechnology

38

(二) 130 PM

韓肇中 博士

(中央研究院原子與分子科學

研究所)

Diamond New Biomedical Material for the Post-genomic Era

329

(二) 130 PM

孫世勝 博士

(中央研究院化學研究所)

Fluorescent Conjugated Polymer-Based Chemosensors

426

(二)

130 PM

(教學大樓

T1-207)

洪豐裕 教授

(中興大學化學系系主任)

Palladium Catalyzed Coupling Reactions Using Cobalt-Containing Bulky Phosphine Ligands

503

(二)

130 PM

(教學大樓

T1-207)

許嘉生 董事長

(穀盛股份有限公司) 未定

531

(二) 130 PM

洪政雄 教授

(彰化師範大學化學系) 未定

67

(二) 130 PM

何佳安 教授

(暨南國際大學應用化學系)

Applications of Liposomes in Biomedicine and Diagnostics

0614

(二) 130 PM

吳立真 教授

(暨南國際大學應用化學系)未定

- 14 -

台大化學系暨化學研究推動中心

93 學年度第(二)學期演講公告

未特別註明者演講地點為浦大邦講堂

(學期中演講增刪或更新請以即期演講公告為準)

日期 演 講 者 講 題

推薦者

221 (一)

330

Prof Jean-Franccedilois CARPENTIER

(Universiteacute de Rennes 1)

Lanthanide Complexes Incorporating Fluorenyl-based Ligands Unusual Bonding

Modes and Unique initiators for syndiospecific styrene polymerization

陳竹亭 教授

222 (二)

400

Dr Hung-Wen Li (Mcgill Chemistry Canada)

Single-Molecule Mechanistic Study of DNA Repair Enzymes

陳竹亭 教授

223 (三)

330

(化四)

Dr Tsang Chi-Wing (Research Associate Univ of

British Columbia) Utilizing P=C bonds in Polymer Science

劉緒宗 教授

224 (四)

200

Prof Yong Hae Kim Distinguished Professor of

KAIST Dept of Chemistry Korea

Dramatic Stereofacial Control in Asymmetric Syntheses

陸天堯 教授

225 (五)

330

黃乃正 (香港中文大學)

The Chemistry of Hydroxytetraphenylenes

陸天堯 教授

31 (二)

200

Prof Seebach Dieter Synthesis and Structures of β-Peptides

陸天堯 教授

33 (四)

200

(會議室)

Dr Sarah Thomas Dr Robert Parker

Dr David Barr (英國皇家學會)

TBA

陸天堯 教授

33 (四)

315

(化四)

Prof Yoshito Takeuchi (Department of Chemistry

Faculty of ScienceKanagawa University)

Organogermanium ChemistrymdashA Wonderland of Heteroatom Chemistry

陳竹亭 教授

- 15 -

日期 演 講 者 講 題

推薦者

33 (四)

415

(化四)

Prof Wasuke Mori (Department of Chemistry

Faculty of ScienceKanagawa University)

Microporous Materials of Metal Carboxylates Gas-occlusion Properties Inclusion Complex

Formation with Organic Polymer and Catalytic Activities for Hydrogenation of Olefins

陳竹亭 教授

345 (五六)

全日

台灣瑞士雙邊有機合成研討會

陸天堯 教授

38 (二)

200

Prof Hung-Wen Liu Learning natures strategies for making unusual sugars

陸天堯 教授

310 (四)

200

Prof Luisa De Cola (Chair of Molecular

Photonic Materials Van t Hoff Institute for Molecular

Sciences (HIMS) Univ of Amsterdam The

Netherlands)

Covalently and NonCovalently Linked Molecular Wires

陸天堯 教授

310 (四)

330

Prof Jeffery I Zink (UCLA)

Nano-Structured Sol-Gel Materials and Functional Molecular Machines

陳昭岑 教授

317 (四)

330

Prof Atsunori Mori (東京工業大學資源化學研

究所副教授)

Transition Metal-Catalyzed Reactions of Alkynes and Heteroaromatic

Compounds

陸天堯 教授

325 (五)

330

Prof G Mehta TBA

陸天堯 教授

4 8 (五)

330

Prof Richard Taylor TBA

陸天堯 教授

415 (五)

200

Prof Oshio (Tsukuba University)

High-Spin molecules toward single-molecule magnets

彭旭明 教授

415 (五)

330

黃迪靖 博士 (國家同步輻射研究中心副

研究員)

Charge and Orbital Ordering in Transition-Metal Oxides

劉如熹 教授

- 16 -

日期 演 講 者 講 題

推薦者

422 (五)

330

林建村 博士 (中研院化學所)

Electro-optic Materialsfrom OLEDs to Photovoltaics

陸天堯 教授

429 (五)

330

Prof Vijay nair TBA

陸天堯 教授

56 (五)

330

林寬鋸 教授 (中興大學化學系)

1D-Semiconducting Metal OxidesSynthesis and Applications

陸天堯 教授

520 (五)

330

許千樹 教授 (交通大學應用化學系)

Nanostructure Enhanced Polymer Light Emitting Diodes

陸天堯 教授

63 (五)

330

孫仲銘 教授 (東華大學化研所)

微波合成抑制新生血管增生先導藥物分子庫

陸天堯 教授

610 (五)

330

蔡明道 博士 (中央研究院基因體中心)

TBA

陸天堯 教授

- 17 -

93 學年第二學期 國立東華大學化學系專題演講

週次 日期 演講者 演講題目 邀請者

3 311 呂宗昕 教授 台灣大學化工系

奈米科技與奈米世界 羅幼旭

4 318 林志彪 教授 東華大學化學系

TBA 化學系

5 325 曹英彥 博士 中油公司

Preparation Characterization and Applications of Zeolite-supported

Subnano Metallic Particles

林志彪

7 48 陳慶年 博士 NIH (USA)

Magnetic Resonance Imaging ndash from a chemistrsquos perspective

錢嘉琳

8 415 Dr Wei Gang

Metal Based Self-Assembly in Supramolecular Chemistry

化學系

9 422 裘性天 教授 交通大學應化系

Growth of Inorganic Solids at the Interphase

林志彪

13 520 王雲銘 教授 高醫應化系

Synthesis and characterization of bio-activated contrast agents for Magnetic Resonance Imaging

劉鎮維

14 527 Prof John Z H ZhangNew York Univ

New Quantum Computational Study of Proteins

張秀華

15 63 林震煌 教授 臺灣師範大學化學系

毛細管電泳線上濃縮技術的發展

與應用 何彥鵬

16 610 李衍彰 教授 彰化師範大學化學系

Synthesis of the natural products as anti-tumor agents

註每週五下午 310pm-500pm

理二講堂

- 18 -

淡江大學化學系 93 學年度第(二)學期演講公告 演講時間每週一下午 210~400演講地點教育館 (Q-409)

日期 時間 演講者 演講題目

221(一) 210~400 傅達勳 危險物及毒化物之認識與運作

307(一) 210~400 Prof Yoshito Takeuchi(Kanagawa University)

Organogermanium Chemistry-A Wonderland of Heteroatom Chemistry

314(一) 210~400 張增輝教授 (美國紐約大學)

321(一) 210~400 施增廉 (淡江大學化學系)

Syntheses of a New Trihydroxy Piperidine Derivative Quercitols and Azepanes for Glycosidase Inhibitors from D-(-)-quinic Acid

328(一) 210~400 陳振漢

(國防醫學院生物晶片

中心)

蛋白質體技術之發展與應用

418(一) 210~400 林唯芳教授 (台大材料系)

分子奈米材料及元件應用

425(一) 210~400 刁維光副教授 (交大應化所)

紫質分子在奈米結構中的光物理與光化學

502(一) 210~400 楊禮明教授 (中國醫藥研究所)

509(一) 210~400 劉廣定教授 (台大化學系)

永續化學與液晶製備

516(一) 210~400 林倫年副研究員 (台大凝態中心)

523(一) 210~400 翁啟惠院士 (中研院)

化學生物與後基因時代之研究

530(一) 210~400 曾惠芳助理教授 (暨大應化系)

毛細管電泳在生化分析上的應用

606(一) 210~400 侯敦仁助理教授 (中央大學化學系)

合環歧化(Ring-Closing Metathesis)之合成

應用

613(一) 210~400 謝明發研究員 (工研院)

The polymeric nano-particles for drug delivery vehicles

- 19 -

中原大學化學系

93 學年度下學期-「學術專題演講」日程表

時間每週三 1500-1630

地點理學館 1樓講堂

主持人葉華光老師 聯絡電話03-2653305 日期 講員 標題 負責

實驗室

223 休息

32 中研院化學研究

所孫世勝博士 Fluorescent Conjugated Polymer-Based Chemosensors

楊千金老師

Lab

39 休息

316 中興大學化學系

林寬鋸教授

未定 葉華光老師

Lab

323 休息 (運動會)

330 南台科技大學

林鴻儒教授 Porous Scaffolds for Bone Tissue Engineering

李世琛老師

Lab

46 休息 (校外實習週)

413 台大醫學院

藥學研究所

李水盛教授

未定 蔡宗燕老師

Lab

420 休息 (期中考)

427 國立陽明大學

周成功教授 How to Struggle with a Novel Gene in the Genome Era

葉瑞銘老師

Lab

54 東吳大學

傅明仁教授 Drug analysis by LC-ES-MS

蔡祐輔老師

Lab

511 休息

518 休息

525 國立成功大學

林弘萍教授

中孔洞氧化矽和碳材料合成與應用 江彰吉老師

Lab

61 華邦電子

周良奎經理

The application of CMP in IC Fabrication

陳玉惠老師

Lab

68 清華大學化學系

劉行讓教授 Reductive Decyanation A Powerful Tool in Organic Synthesis

黃悉雅老師

Lab

615 休息

備註1 請各場次負責的實驗室於演講前做好教具測試 2 自本學期起各場次負責之實驗室僅提供茶水不再準備點心

- 20 -

國立嘉義大學應用化學系 九十三學年度第二學期演講公告

(學期中演講增刪或更新請以即期演講公告為準)

日期 時間 演 講 者 講 題

223

(三) pm1520

~1700 陳勁初主任 (葡萄王生技中心主任)

生技保健食品開發

302

(三) pm1520

~1700 陳泊余教授(高雄醫學大學 醫藥暨應用化學系)

The application of ionic liquids in electrochemistry

316

(三) Pm1520

~1700 陳焜銘教授 (師範大學化學系)

The development of camphor derived chiral ligands for asymmetric reactions

323

(三) pm1520

~1700 何佳安教授 (暨南大學化學系)

Liposome in Diagnostic Microbiology

330

(三) pm1330

~1510 夏克山博士 (國家衛生研究院)

Discovery of New Stem Cell Mobilizers Antagonizing CXCR4 Chemokine Receptor

406

(三) pm1520

~1700 陳幹男教授 (淡江大學化學系)

Hybridization of Aqueous-based Polymers

413

(三) pm1520

~1700 汪炳鈞教授 (清華大學化學系)

Asymmetric Synthesis Using Camphor Derived Chiral Ligands

504

(三) pm1520

~1700 林震煌教授 (師範大學化學系)

毛細管電泳線上濃縮技術的發展

與應用

427

(三) pm1520

~1700 劉英麟教授 (中原大學化工系)

應用二氧化矽奈米粒子於高分子

材料改質

註演講地點在工程館四樓視聽教室

- 21 -

中 央 研 究 院 化 學 研 究 所 INSTITUTE OF CHEMISTRY ACADEMIA SINICA

學 術 演 講 (Chemistry Colloquium)

0106 (四) 1530

唐本忠教授 香港科技大學 (推薦人 陶雨台教授) Light-Emitting Polyenes Polyynes and Polyarylenes

0110 (一) 1530

Prof Rudy Marcus California Institute of Technology USA (推薦人 許昭萍教授) Puzzling phenomena in the fluorescence intermittency of single quantum dots theory and experiment (地點 周大紓講堂)

0114 (五) 1530

Prof Samson A Jenekhe University of Washington USA (推薦人 陶雨台教授) Organic Electronics and Optoelectronics

0125 (二) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Design and Synthesis of Tumor-Targeting Boron Molecules

0126 (三) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Chemistry of Bis-π-allylpalladium for Organic Synthesis

0127 (四) 1530

Prof Teruo Shinmyozu Kyushu University Japan (推薦人 周大新教授) Synthesis Structure and Photochemical Properties of [3n]Cyclophanes (n = 2-6)

0129 (六) 功能性有機化合物的分子建構 小型研討會

0202 (三) 1530

曾志明教授 國立中興大學 (推薦人 陳錦地教授) Addressing grand energy challenges through advanced materials

0203 (四) 1030

江明錫博士 國立清華大學 (Interview Talk) f-ion speciation and d-f interaction toward electrocatalysis LnAn-polyoxotungstates

0218 (五) 1030

Dr Tiow-Gan Ong University of Ottawa Canada The stories of rationally designing a Guanidinate transition metal Complexes and constructing a Stable Carbene with a Novel Topology and Electronic Framework Their Role in Catalysis

0221 (一) 1030

Dr Chi-Wing Tsang University of British Columbia Canada (Interview Talk) Carborane - A New Weakly Coordinating Anion Utilizing P=C bonds in Polymer Chemistry

0225 (五) 1030

Dr Chen-Hsiung Hung National Changhua University of Education Metal Assisted Small Molecule Activations Using Porphyrin Analogues or NNO-Scorpionates as Ligands

0226 (六) 周大紓先生紀念研討會 (Ta-shue Chou Memorial Lecture) (地點 周大紓講堂)

0301 (二) 1030

Dr Wen-Yuan Hsieh Purdue University Synthesis Characterization of monomeric and dimeric Mn complexes

0302 (三) 1400

Prof Peter Chen Swiss Federal Institute of Technology Zurich Switzerland (推薦人 陸天堯教授) Organometallic Chemistry by ESI-MSMS High Valent Oxo Complexes Diolates Metallaoxetanes and Carbenes

0302 (三) 1530

Dr Sarah Thomas Royal Society of Chemistry Publishing Why Where and How (地點 周大紓講堂)

- 22 -

0303 (四) 1430

Prof Pierre Vogel Swiss Federal Institute of Technology Lausanne Switzerland (推薦人 陸天堯教授) Carbohydrate Mimetics Synthesis of C-Disaccharides Imino-C-disaccharides and Analogs and their Biological Properties

0303 (四) 1530

Prof Jay S Siegel University of Zurich Switzerland (推薦人 陸天堯教授) Cheap Fast and Out of Control Rationale for Combinatorial Chemistry

0304-05

第一屆台灣-瑞士雙邊有機合成研討會 Joint Swiss-Taiwanese Meeting ldquoFrontiers in Organic Synthesisrdquo (地點 國立台灣大學 原分所浦大邦演講廳)

0309 (三) Symposium

ldquoPhysical Studies on Photo- or Electron-responsive Materials 0310(四)

1400 陳月枝教授 國立交通大學 (推薦人 陳玉如教授) Title to be annouced

0324(四) 1530

王惠鈞所長 中研院生化所 (推薦人 陳長謙所長) Title to be announced

0407(四) 1530

Prof Richard Taylor University of York (推薦人 陸天堯教授) Title to be announced

0421(四) 1530

Prof Biswanath Das Indian Institute of Chemical Technology India (推薦人 畢爾曼教授) Investigation on Some Fundamental Reactions

地點A108 會議室 Revised on February 21 2005

- 23 -

國立彰化師範大學化學系九十三學年下學期專題演講一覽表

時間 演講者 服務單位 演講題目 地點 推薦人

411

pm 200 林建村

中央研究

院化學所 Electro-optic Materials from OLEDs to photovoltaics

藝薈館

系演講廳 李漢文

418

pm200 梁博煌

中央研究

院生化所 Anti-infectious drug discovery藝薈館

系演講廳 李衍彰

425

pm200 傅傳博

暨南大學

應化系 Development of Magnetic Separation for Analytical Chemistry

藝薈館

系演講廳 林秋薰

59

pm 200 蔡易州

清華大學

化學系 The power of Meal-Metal Multiple bonds

藝薈館

系演講廳 黃瑞賢

516

pm200 孫仲銘

東華大學

化學系 微波抗腫瘤藥物分子庫合成藝薈館

系演講廳 李衍彰

523

pm200 許昭萍

中央研究

院化學所 Electronic Coupling for electron transfer methods and applications

藝薈館

系演講廳 胡景瀚

66

pm200 林敬堯暨南大學

應化系

Tailoring ethynyl substituted porphyrins for photonic electrochemical and nano-related researches

藝薈館

系演講廳 洪政雄

613

pm200 莊琇惠

高雄大學

應化系 Chemical Vapor Deposition of Hafnium Oxonitride as High-k Materials

藝薈館

系演講廳 黃瑞賢

- 24 -

- 25 -

- 26 -

- 27 -

- 28 -

- 29 -

- 30 -

國科會化學推動中心補助學術研討會成果報告表

會議名稱94 年第一次國科會分析化學小組研討會

舉辦日期民國 94 年 2 月 19 日 至 民國 94 年 2 月 19 日

主辦機構國立中醫藥研究所國科會分析化學小組主持人蔡東湖傅明仁

舉辦地點國立中醫藥研究所 聯絡電話 02-2820 1999 ext 8091

出席人數工業界 人學術界(含學生) 110 人 共 110 人

會議重要成果 (如篇幅不足另以A4白紙填寫)

會議經過及議程

0900~0930 報到 0930~0940 主席國科會分析化學小組召集人傅明仁教授 0940~0950 致歡迎詞吳天賞教授 國立中醫藥研究所所長 0950~1040 專題演講食品中 acrylamide 之分析 周薰修博士 藥物食品檢驗局 主持人傅明仁教授 (東吳大學化學系) 1040~1110 茶點時間 1110~1200 專題演講哺乳動物體內 D-乳酸的分析 李仁愛助理教授 台北醫學大學藥學系

主持人蔡東湖教授 (國立中醫藥研究所) 1200~1320 中餐休息 1320~1410 專題演講利用分子轉印技術在人體肝臟細胞中重金屬中毒的飛 行式二次離子質譜儀(TOF-SIMS)離子影像分析研究 麥富德助理教授 中山醫學大學應用化學系

主持人李茂榮教授 (中興大學化學系) 1410~1500 專題演講具奈米結構之鋰電池電極材料研製與電化學析 劉茂煌助理教授 輔大化學系 主持人何國榮教授 (台灣大學化學系) 1500~1530 茶點時間 1530~1630 綜合座談跨領域幹細胞整合計畫

陳甫州教授 台中榮民總醫院 1630- 會議結束

- 31 -

重要收穫及心得

藉由此次會議接觸到來自各方的學術研究同仁也許各自專長的領域不盡相同但

對於分析化學的研究與應用有著彼此相同的努力目標相互的討論及觀摩不僅僅是成果

的分享更進一步帶來跨領域的合作靈感與契機

近來科學的發展已不再只靠一個人或一間實驗室單打獨鬥不同領域的結合發展漸

成顯學資訊與技術的交流也許會產生比預期更巨大的突破以生物科學這一個大的範

疇為例若缺少化學物理與數學的助益恐怕連傳統遺傳學理論都無法發展以古視今

現今各個次領域都擁有其各自的專長就跨領域幹細胞整合計畫而言只包含分生生理

的人才絕對不足分析化學甚至藥學的知識與技術也有其立足之地國科會分析化學小組

研討會就提供了這麼一個交流與合作的園地結合彼此的力量共同思考更遠大的未來 建議

首先先謝謝國科會化學推動中心的支持國科會分析化學小組的努力及國立中醫藥

研究所的配合使此次會議圓滿完成由於報名踴躍就一個一百多人參與的會議來說

此次補助的經費似乎稍嫌不足扣除演講者的講費及與會者的午餐其餘所剩無幾故將

來補助款若能依參與人數的多寡而稍做調整相信主辦機構能夠為與會者提供更好的服務

- 32 -

訪問教授訪問報告表

姓名 Prof Jean-Franccedilois Carpentier

訪問日期民國 94 年 2 月 20 日 至 民國 94 年 2 月 24 日

接待機構 清華大學化學系 接待人 季昀 教授 聯絡電話 (03) 5712956

訪問重要成果 (如篇幅不足另以A4白紙填寫)

1訪問經過

Prof Jean-Franccedilois Carpentier 於 20 日晚間抵達台灣經過一個晚上的短暫

休息星期一早晨赴台大化學系訪問中午與學生共進午餐交換研究心得並瞭解

該校研究狀況星期二赴淡江化學系訪問中午與晚間分別與學生與教員共進午晚

餐交換研究心得並瞭解該校研究近況並談及如何共同申請中法國際合作專案

星期三赴清大化學系訪問中午與該系教員共進午餐交換研究心得並瞭解該校研

究狀況晚間則回返回台北參觀一年一度的台北國際燈會星期四上午安排私人的

自由活動並赴台北市旅遊景點參訪晚間搭乘飛機離台

2演講行程及概要

2 月 21 日台灣大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 22 日淡江大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 23 日清華大學化學系Towards Green Plastics via Stereoselective Polymerization

of rac-Lactide with Discrete Group 3 Metal Complexes

3 重要收獲及心得

瞭解國際學術界在過渡金屬錯合物鑭系稀土錯合物的合成化學與催化反應方面的前

瞻進展狀態

並為建立合適管道執行未來國際學術合作促進國與國間的人員互動人員的相互

了解而努力

4其他意見

- 33 -

訪問教授訪問報告表

- 34 -

訪問教授訪問報告表

- 35 -

訪問教授訪問報告表

姓名Luis A Marky 教授 University of Nebraska Medical Center

訪問日期民國九十三年十二月四日至十一日

接待機構中央研究院 接待人甘魯生 聯絡電話02 2789 8550

訪問重要成果

訪問經過

Luis Marky 教授早年追隨熱力學

大師 Ken Breslauer之後為紐約

市大學及內布拉斯加州立大學

網羅是一位核酸熱力學專家

其論文發表在 J Am Chem Soc

Biochemistry Nucleic Acids Res

Methods Enzymol等知名國際專業雜誌上Marky 教授早在博士後研究員時即與本

人相識研究領域也相近一直有和他合作共同研究核酸的性質及結構的想法

他也對我們台灣非常友善此次有幸得到化學中心的資助得以邀請 Marky 來台

一方面洽談合作事誼一方面和國內學者及學生會談增進交流宣導有關核酸方

面的研究Marky 教授在短短一週內訪問了四所學術機構也以四個不同的題材

發表了四場學術演講次數相當密集把這次訪問推到最高峰幸好 Marky 教授

並不以為苦所以是一次成功的訪問 演講行程及概要

十二月四日星期六抵台

十二月五日星期日轉赴花蓮

十二月六日星期一

訪問國立東華大學

以ldquoDNA Hairpin Loops Folding Ligand Binding and Hydrationrdquo為題發表專題演講

- 36 -

十二月七日星期二

訪問中央研究院

以rdquoThermodynamics of DNA Triplexes Contributions of Base-Triplet Stacks and Base

Methylationrdquo為題發表專題演講

十二月八日星期三

訪問國立中正大學

以ldquoThermodynamics of DNA Triplexes Containing C-glycosides Basesrdquo為題發表專題

演講

十二月九日星期四

參觀故宮博物院

十二月十日星期五

訪問國立清華大學

以ldquoSherlock Holmesrsquos Adventures with Nucleic Acidsrdquo 為題發表專題演講

十二月十一日離台

重要收獲及心得

Marky 教授在信中稱他對四所訪問的學術機構中央研究院國立東華大學國

立中正大學及國立清華大學的教學及研究都有深刻的印也意外的面試了一位東

華生科所的學生準備收為研究生這是一件互惠之事Marky 教授也非常希望

能和我們合作共同研究

其他意見

(請見 Luis Marky 教授信)

- 37 -

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 1 -

最 新 消 息 一3月1日「化學學門規劃討論會」重新把學門規劃拓展為八個方向如下

1 先進材料化學2 環境化學與能源化學3 先進量測4 理論化學5 生物及醫藥化學 6 先進分析方法7 合成化學8 分子設計化學正在草擬中

二第187次(940301)中心審議會會議決議 (一) 同意補助下列三位教授為中心訪問教授生活費補助以不超過七天為限並須給三

場以上學術演講及繳交訪問報告 姓名來訪日期及 連絡人

主 要 專 長 現 職 備 註

1Dario M Bassani 94813-820 汪根欉教授

光化學與巨分子化學 法國波爾多大學

CNRS 研究員 補助副教授級

生活費及機票

費 2Joseph M OrsquoConnor 94530-65 劉瑞雄教授

有機金屬及催化反

應 美國加州大學聖地牙

哥分校教授 補助教授級生

活費及機票費

3A Gonzalez Ureňa 94620-627 林金全教授

1 氣態反應動態學 2 雷射光譜研究 3 氣態分子的表面反

Prof Univ of Complutense Madrid 西班牙

補助教授級生

活費及機票費

(二) 同意推薦下列五位教授為國科會國際科技人士短期訪問教授生活費補助以不超過

為限並須給三場以上學術演講及繳交訪問報告 姓名來訪日期及 連絡人

主 要 專 長 現 職 備 註

1Thomas J Martin 94815-820 林俊成博士

Deoxy sugar 的合成 唾液酸醣(sialic acid)化學藥物設計開發與

合成

Senior Research Scientist Department of Chemistry ALTANA Pharma Group

補助教授級生活費及機票費

2Michinori Suginome 94619-626 梁文傑教授

有機金屬有機合成

高分子合成 日本京都大學教授 補助教授級生

活費及機票費

3Aharon Gedanken 94617-621 陳水田教授

Sonochemistry Microwave heating Sonoelectrochemistry

Professor Bar-Ilan Univ Israel

補助教授級生活費及機票費

4Hajime Yamamoto 94815-820 劉如熹教授

Solid state physics and chemistry Phosphors for display

Professor Tokyo University of Technology Japan

補助教授級生活費及機票費

5Hiroaki Sasai 94523-526 劉行讓教授

Organic Chemistry 日本大阪大學教授 補助教授級生活費及機票費

- 2 -

(三) 同意推薦「第五屆海峽兩岸催化學術研討會」為國科會兩岸學術科技研討會並建 議補助金額三十五萬元

(四) 同意補助下列研討會經費如下

會議名稱 補助金額 備 註 1第十一屆分析化學技術交流研討會 25000 元 2第二十三屆台灣區觸媒與反應工程 研討會

25000 元

3無機化學研討會 請補詳細議程後再審查 4無機錯鹽化學小組研討會 25000 元

- 3 -

中研院原分所與台大化學系九十三學年度第二學期演講

日期 演講者 講題 0224 (四)

1530

林唯芳教授 (台灣大學材料所)

Organic Solar Cell 有機太陽能電池

0303 (四)

1530

孟心飛教授 (交通大學物理所) Physics and Devices of Conjugated Polymers

0324 (四)

1530

Prof Michel Herman (Universiteacute Libre de Bruxelles Belgium)

Recent Developments in High Resolution Fourier Transform Spectroscopy From Atmospheric Fingerprints to Vibrational Alchemy

0331 (四)

1530

倪衛新主任 (國家奈米元件實驗室) (To be announced)

0407 (四)

1530

Prof John Zhang (張增輝教授) (Department of Chemistry New York University USA)

An Efficient New Approach for Quantum Calculation of Proteins

0414 (四)

1530

游靜惠教授 (清華大學化學系)

Theoretical Investment of Hydrogen Bond Cooperativity and Stable Triplet Biradicals

0421 (四)

1530

白果能博士 (中央研究院生醫所)

High Sensitivity and High Throughput Detection of Viruses

0428 (四)

1530

吳天鳴教授 (交通大學物理所) (To be announced)

0505 (四)

1530

林寬鋸教授 (中興大學化學系)

Navigating Artificial Muscle on ID Supramolecular Systems

0512 (四)

1530

Prof Jack Saltiel (Florida State University USA)

The Photophysics and Photochemistry of Diphenylhexatriene Overcoming Nonlinear Effects in Spectral Resolution

0519 (四)

1530

張玉明博士 (台灣大學凝態科學研究中心)

Electron Accumulation in the Near Surface Region of InN

0526 (四)

1530

吳益群教授 (台灣大學分子細胞生物學研究

所)

Cell Death in C Elegans Gene Discovery and Functional Analysis

0602 (四)

1530

張瑛芝博士 (中央研究院基因體研究中心)

Grafted Polypeptide Assisted Thin Film Fabrication at Planar Solid Surfaces

0609 (四)

1530

Prof John Zhang (張增輝教授) (Department of Chemistry New York University USA)

Computational Study for Protein-ligand Binding and Drug Design

- 4 -

國立中央大學化學系九十三年度第二學期專題演講

時間 演講人 單 位 講 題 地點 邀請人 邀請人分機

0304 林弘萍 成大化學系 中孔洞碳材之合成與

應用 S5-101 高憲明 65932

0311 傅明仁 東吳化學系 Drug Analysis by LC-ES-MS

S5-101 丁望賢 65905

0315 Atsunori Mori

東京工業大學 Transition Metal-Catalyzed

Reactions of Alkynes and Heteroaromatic

Compounds

S5-101 楊吉水 65925

0318 王心心 工研院化工所 光電用染料及其應用 S5-101 楊吉水 65925 0325 楊定亞 東海化學系 Synthesis of

4-hydroxycoumarin derivatives and its

applications

S5-101 侯敦仁 65981

0408 林英智 台大化學系 Organometallic complexes containing

unsaturated three-membered ring

ligand

S5-101 陳銘洲 65943

0415 黃炳照 台科大 過量鋰層狀陰極材料

異常充放電機構 S5-101 諸柏仁 65902

0506 王立義 台大凝態 Development of donoracceptor hybrid materials for organic

solar cell

S5-101 吳春桂 65903

0513 Jack Saltiel

美國佛羅里達

大學 From Photoisomerism

and Rotamerism to Bacteriorhodopsin

S5-101 楊吉水 65925

0520 胡景瀚 彰師大化學系 未定 S5-101 張伯琛 65908 0527 李度 中大化材系 Biomimetic

crystallization from evolution to revolution

S5-101 李光華 65930

- 5 -

國立台灣師範大學化學系九十三學年第二學期專題演講

日期 主講者 題目 邀請人 演講場地

3 月 3 日

瑞士理工大學 Prof Eric Carreira Prof Phillippe Renaud

未定 陳建添教授 F322

3 月 4 日 日本神奈川大學化

學系 竹內敬人教授

Organogermanium Chemistry-A Wonderland of Heteroatom Chemistry

葉名倉教授 F322

3 月 14 日 莊哲仁 博士 Pharmaceutical Process

Development 藥物製程開發

謝明惠教授 E302 教

(1) 台大生工系 廖秀娟教授

未定

王忠茂教授

E302 教

3 月 21 日 (2) 印度國家科學

院院長 Prof Metha (印度)

未定 陳建添教授 E302 教

3 月 28 日 同步輻射中心 許火順博士

蜘蛛絲裡的奈米晶體 洪偉修教授 E302 教

室 台灣科技大學化工

系 黃炳照教授

未定 王忠茂教授

4 月 11 日

Prof Richard Tayler 陳建添教授

E302 教

4 月 18 日 國立交通大學應化

陳月枝教授

未定 林震煌教授 E302 教

中研院原分所 曾文碧教授

未定 何嘉仁教授 4 月 25 日

Prof Vijay Nair 陳建添教授

E302 教

5 月 16 日 東華大學化學系 林志彪教授

Metal containing liquid crystals based on imidazoles

謝明惠教授 E302 教

6 月 6 日 中正大學化學系 洪伯誠教授

未定 陳焜銘教授 E302 教

6 月 13 日 暨南大學應用化學

系 何佳安教授

未定 林震煌教授 E302 教

時間(星期一) 第一場 PM 210 第二場 PM 330

以附註者之演講時間為星期三 900~1030 am 歡迎系上教職員生踴躍參加 附註資料陸續更新中請見本系網頁的系公佈欄的專題演講

- 6 -

成功大學化學系 93 學年下學期 專題演講 題目

日期 NAME 服務單位 職稱 題目 主持人

3 2 PM210

日 杜慶光 Univ of Florida 教授 Proton Transfer in Carbon Anhydrases 孫亦文

3 9 PM210

日 林俊成 中央研究院

化學所 副研究員 Synthesis of Complex Carbohydrate and

Application of Carbohydrate Encapsulated Nanoparticle and Microarray

黃得時

316 PM210

日 PM610

陳甫州 台中榮總醫研部 教授 腦中風動物模式與幹細胞治療研究 陳淑慧 桂椿雄

323 PM210

日 Michael Herman 國科會訪問教授 教授 未定 葉晨聖

330 PM210

日 PM610

周錦生 亞洲基因科技 (股)公司 總經理 Advancement of Molecular Diagnostics 葉晨聖

413 PM210

日 許桂芳 成功大學化學系 助理教授 熱電材料的合成與應用 黃文亮

420 PM210

日 高憲明 中央大學化學系 副教授 Synthesis and Characterization of

Mesoporous Silica SBA-1 葉晨聖

420 PM610

夜 鄭豐裕 成功大學化學系 博士候選人

Synthesis of Magnetic Nanoparticles and its Application in Biomedicine 葉晨聖

511 PM210

日 鄭豐裕 成功大學化學

系 博士候選人Synthesis of Magnetic Nanoparticles and

its Application in Biomedicine 葉晨聖

518 PM210

日 胡景瀚 彰化師範大學

化學系 教授 Theoretical Study on the Catalysis of N-heterocyclic Carbenes 葉晨聖

525 PM210

日 邱惠琪 成功大學化學

系 博士後研究

員 A study of Novel electrodes of the Reduction of

Oxygen and the Determination of CO2 孫亦文

- 7 -

國立高雄師範大學化學系93學年度第二學期演講公告 日 期 時 間 演 講 者 講 題

314 (一) 1430

丁尚武 教授

中山大學化學系

Applications of solid state NMR spectroscopy and imaging in the studies of materials and biological systems(固態核磁共振光譜和影

像在研究材料和生物系統中的應用)

321 (一) 1430

陳振興 教授

高雄大學應用化學系

利用旋轉環狀圓盤電極探討鋰離子二次

電池中鋰錳電極材料容量的衰退與錳離

子溶解之關係

331 (四) 1430

蔡厚仁 教授

中正理工學院應用化學系

從含氟的Ylides合成單氟及雙氟烯類化

合物

47 (四) 1430

傅明仁 教授

東吳大學化學系 Drug Analysis by LC-ES-MS

418 (一) 1430

潘樹德 技術經理

中環科技事業有限公司 環境污染物檢測

428 (四) 1430

何君艷 副理

財團法人中興工程顧問

社環境工程研究中心 環境檢驗化學

516 (一) 1430

徐秀福 教授

淡江大學化學系 從化學家的角度切入液晶材料之設計

530 (一) 1430

許鏵芬 教授

成功大學化學系 Vanadium chemistry relevant to the biological system

- 8 -

國立中興大學化學系演講日程表

地點化學館 1 樓視聽教室 (93 學年度下學期)930201 時 間 演 講 人 演 講 題 目

0223 1030~1200

星期三

Postdoctoral Associate with Professor John F Hartwig at Yale University

李進發博士

1 From Propargylic Dithioacetals to 235-trisubstituted Furans

Toward Molecular Nanowire

2 Synthesis and Applications of Fluoroalkylphosphines 0302

1030~1200 星期三

嘉南藥理科技大學 王來好教授

Developments in Electrochemical Detection for Liquid Chromatography in Medicine and Chemistry

0309 1030~1200

星期三

中興大學 生物醫學研究所

闕斌如教授

A Tumor-Associated Cellular Target for the Anticancer Actions of Capsaicin and Green Tea Catechin

0316 1030~1200

星期三

淡江大學化學系 徐秀福教授

Design and Properties of Liquid Crystals with Board-like and Disk-like Cores

0323 1030~1200

星期三 黃聖言博士

Dynamics of Supercooled Water in Confinement

0330 1030~1200

星期三

國科會自然處 瞿港華副研究員

綠色溶液-離子液體與超臨界流體在金屬分離上的應用 (The Application of Ionic Liquid and Supercritical Fluid on the Separation of Metal Species )

0413 1030~1200

星期三

清華大學化學系 沙晉康教授

Radical and Ionic Cyclizations of α-Indo Ketones

Applications in the Total Synthesis of Natural Products

0420 1030~1200

星期三

淡江大學化學系 王文竹教授

螺旋超分子

0427 1030~1200

星期三

東華大學化學系 劉福成教授

Organohydroborate Chemistry of Early Transition Metal Complexes

0504 1030~1200

星期三

台灣大學化學系 劉如熹教授

具零維核殼結構及一維奈米金屬合成與特性分析研究

0511 1030~1200

星期三

中研院基因體中心 楊安綏研究員

Artificial protein binders as antibody alternatives

0518 1030~1200

星期三

中正大學化學系 于淑君教授

未定

- 9 -

高雄大學應用化學系

93 學年度第(二)學期演講公告 演講地點為理工二演講廳

日期 時間 演 講 者 講 題

940310 (四) 0220

董騰元 教授

(中山大學 化學系) Design and Preparation of Molecular Wire and Motor

940317 (四) 0220

方冠榮 教授

(成功大學 材料科學及

工程學系)

Materials and its processing for advanced energy technologies

940414 (四)

0220

萬海威 董事長

(聯茂電子公司) To be announced

940428 (四)

0220

蔡文亮 教授

(高雄師範大學 化學系)

Molecular Design Synthesis Identification and Physical Properties of Liquid Crystals

940519 (四)

0220

游靜惠 教授

(清華大學 化學系)

Theoretical investment of Hydrogen Bond Cooperativity and Stable Triplet Biradicals

- 10 -

輔仁大學化學系

九十三學年度下學期專題演講時間表

日期 演講者 服務單位 演講題目

317 陳重裕 工研院化工所 化學品應用於光電產業的趨勢

與機會

324 周良奎 華邦電子 The application of CMP(Chemical Mechanical Polish) in IC fabrication

331 鍾崇燊 清華大學化學系 如何培育學生的化學創造力

407 王家麟 中央大學化學系 空氣中氣態有機汙染物的自動

量測與空氣汙染問題

414 陳錦地 中研院化學所 Maleimide Fluorophores and their Copolymers for Red Organic Light-Emitting Diodes

428 何子樂 交大應化所 Synthesis Design by Symmetry Considerations amp Chemical Riddles

505 林震煌 師大化學系 毛細管電泳線上濃縮堆積技術

的發展與應用 時間 星期四下午 140 地點 化學系 CH118 教室

- 11 -

國立中山大學化學系 九十三學年度第二學期專題演講

( 聯絡電話化學系 TEL(07)5252000 轉 3901) 日期時間 主 講 人 題 目 連絡人

940223 1410-1500

杜慶光 博士 美國佛羅里達大學藥學系

Proton Transfer in Carbonic Anhydrases 黃宣容

940302 1410-1500

陳生明 教授 台北科技大學化工系

薄膜修飾電極電催化及生物電化學 黃宣容

940309 1410-1500

蕭志農 博士

神隆股份有限公司 Chromatography in Process Chemistry 張彥誠

940316 1410-1500

張增輝 教授

美國紐約大學 New Method for Quantum Chemical Study of Proteins 陳國美

940323 1410-1500

洪文俊 所長 中山生醫所

Chemistry and Biology 謝建台

940330 1410-1500

徐秀福 教授 淡江化學系

液晶材料設計-從化學家的觀點切入 王志偉

940413 1410-1500

王先知 副所長 工研院化工所

工研院的奈米生醫研發 陳國美

940420 1410-1500

陸天堯 教授 台大化學系

Helical Double Stranded Polymers 周金興

940504 1410-1500

陳仲瑄 研究員 中研院基因體研究中心

Ultrasensitive Detection Technologies and their Biomedical Applications 黃宣容

940511 1410-1500

李漢文 教授 彰師大化學系

The Chemistry of Phosphine-functionalized N-heterocyclic

Carbene

梁蘭昌

940528 1410-1500

蕭世裕 教授 成大化學系

Preparation of Magnetic Nanoparticles as Drug

Carriers

周金興

940601 1410-1500

林達顯 教授 陽明大學生化所

Structural Determination of Apolipoprotein E and β-amyloid Peptide

丁尚武

演講地點理小劇場(理 1001)

- 12 -

國立暨南國際大學 應用化學系 93 學年度第二學期 演講公告

日期 時間 演講者 講題

94225 (五) PM320~500

林敬堯 (暨南大學應化系助理教授)

Tailoring Ethynyl Substituted Porphyrins for Photonic Electrochemical and Nano-Scale Related Researches

9434 (五) PM320~500

王忠茂 (台灣師範大學化學系教授)

Photoelectrochemistry on Zeolites

94311 (五) PM320~500

陳皓君 (中正大學化學暨生物化學系教

授)

Damage of DNA and ProteinsReactions and Analysis

94325 (五) PM320~500

裘性天 (交通大學應用化學系教授)

Growth of Inorganic Solids at the Interphase

9448 (五) PM320~500

周禮君 (中正大學化學暨生物化學系教

授)

Biosensors

94415 (五) PM320~500

葉晨聖 (成功大學化學系教授)

NanomaterialsMetal and Metal Oxide

94422 (五) PM320~500

林萬寅 (台灣大學化學系教授)

Mechanism and Chemiluminescence of Microperoxidase-Catalyzed Reactions

94429 (五) PM320~500

陳暉 (中央大學化材系教授)

均一粒徑高分子微粒子的製

備與其在光子晶體上之應用

9456 (五) PM320~500

黃賢達 (清華大學化學系教授)

Simultaneous Determination of Trace Elements in Urine by GFAAS

94520 (五) PM320~500

楊吉水 (中央大學化學系副教授)

The Photochemistry of N-Aryl-Substituted trans-4-aminostilbenes

94527 (五) PM320~500

蔡世榮 (工研院化工所高分子技術組

正研究員兼組長)

機能性染料之微波合成與應

9463 (五) PM320~500

陳幹男 (淡江大學化學系教授)

Curing Reaction and Functionalization of Agueous-based Polyurethane

地點科技一館 第一演講廳

- 13 -

朝陽科技大學應用化學系

93 學年度第(二)學期演講公告

未特別註明者演講地點為圖書館一樓演講廳

(學期中演講增刪或更新請以即期演講公告為準)

日期 時間 演 講 者 講 題

31

(二) 130 PM

阮若屈 教授

(中央大學化學工程與材料工

程學系)

Quantum Dot Biotechnology

38

(二) 130 PM

韓肇中 博士

(中央研究院原子與分子科學

研究所)

Diamond New Biomedical Material for the Post-genomic Era

329

(二) 130 PM

孫世勝 博士

(中央研究院化學研究所)

Fluorescent Conjugated Polymer-Based Chemosensors

426

(二)

130 PM

(教學大樓

T1-207)

洪豐裕 教授

(中興大學化學系系主任)

Palladium Catalyzed Coupling Reactions Using Cobalt-Containing Bulky Phosphine Ligands

503

(二)

130 PM

(教學大樓

T1-207)

許嘉生 董事長

(穀盛股份有限公司) 未定

531

(二) 130 PM

洪政雄 教授

(彰化師範大學化學系) 未定

67

(二) 130 PM

何佳安 教授

(暨南國際大學應用化學系)

Applications of Liposomes in Biomedicine and Diagnostics

0614

(二) 130 PM

吳立真 教授

(暨南國際大學應用化學系)未定

- 14 -

台大化學系暨化學研究推動中心

93 學年度第(二)學期演講公告

未特別註明者演講地點為浦大邦講堂

(學期中演講增刪或更新請以即期演講公告為準)

日期 演 講 者 講 題

推薦者

221 (一)

330

Prof Jean-Franccedilois CARPENTIER

(Universiteacute de Rennes 1)

Lanthanide Complexes Incorporating Fluorenyl-based Ligands Unusual Bonding

Modes and Unique initiators for syndiospecific styrene polymerization

陳竹亭 教授

222 (二)

400

Dr Hung-Wen Li (Mcgill Chemistry Canada)

Single-Molecule Mechanistic Study of DNA Repair Enzymes

陳竹亭 教授

223 (三)

330

(化四)

Dr Tsang Chi-Wing (Research Associate Univ of

British Columbia) Utilizing P=C bonds in Polymer Science

劉緒宗 教授

224 (四)

200

Prof Yong Hae Kim Distinguished Professor of

KAIST Dept of Chemistry Korea

Dramatic Stereofacial Control in Asymmetric Syntheses

陸天堯 教授

225 (五)

330

黃乃正 (香港中文大學)

The Chemistry of Hydroxytetraphenylenes

陸天堯 教授

31 (二)

200

Prof Seebach Dieter Synthesis and Structures of β-Peptides

陸天堯 教授

33 (四)

200

(會議室)

Dr Sarah Thomas Dr Robert Parker

Dr David Barr (英國皇家學會)

TBA

陸天堯 教授

33 (四)

315

(化四)

Prof Yoshito Takeuchi (Department of Chemistry

Faculty of ScienceKanagawa University)

Organogermanium ChemistrymdashA Wonderland of Heteroatom Chemistry

陳竹亭 教授

- 15 -

日期 演 講 者 講 題

推薦者

33 (四)

415

(化四)

Prof Wasuke Mori (Department of Chemistry

Faculty of ScienceKanagawa University)

Microporous Materials of Metal Carboxylates Gas-occlusion Properties Inclusion Complex

Formation with Organic Polymer and Catalytic Activities for Hydrogenation of Olefins

陳竹亭 教授

345 (五六)

全日

台灣瑞士雙邊有機合成研討會

陸天堯 教授

38 (二)

200

Prof Hung-Wen Liu Learning natures strategies for making unusual sugars

陸天堯 教授

310 (四)

200

Prof Luisa De Cola (Chair of Molecular

Photonic Materials Van t Hoff Institute for Molecular

Sciences (HIMS) Univ of Amsterdam The

Netherlands)

Covalently and NonCovalently Linked Molecular Wires

陸天堯 教授

310 (四)

330

Prof Jeffery I Zink (UCLA)

Nano-Structured Sol-Gel Materials and Functional Molecular Machines

陳昭岑 教授

317 (四)

330

Prof Atsunori Mori (東京工業大學資源化學研

究所副教授)

Transition Metal-Catalyzed Reactions of Alkynes and Heteroaromatic

Compounds

陸天堯 教授

325 (五)

330

Prof G Mehta TBA

陸天堯 教授

4 8 (五)

330

Prof Richard Taylor TBA

陸天堯 教授

415 (五)

200

Prof Oshio (Tsukuba University)

High-Spin molecules toward single-molecule magnets

彭旭明 教授

415 (五)

330

黃迪靖 博士 (國家同步輻射研究中心副

研究員)

Charge and Orbital Ordering in Transition-Metal Oxides

劉如熹 教授

- 16 -

日期 演 講 者 講 題

推薦者

422 (五)

330

林建村 博士 (中研院化學所)

Electro-optic Materialsfrom OLEDs to Photovoltaics

陸天堯 教授

429 (五)

330

Prof Vijay nair TBA

陸天堯 教授

56 (五)

330

林寬鋸 教授 (中興大學化學系)

1D-Semiconducting Metal OxidesSynthesis and Applications

陸天堯 教授

520 (五)

330

許千樹 教授 (交通大學應用化學系)

Nanostructure Enhanced Polymer Light Emitting Diodes

陸天堯 教授

63 (五)

330

孫仲銘 教授 (東華大學化研所)

微波合成抑制新生血管增生先導藥物分子庫

陸天堯 教授

610 (五)

330

蔡明道 博士 (中央研究院基因體中心)

TBA

陸天堯 教授

- 17 -

93 學年第二學期 國立東華大學化學系專題演講

週次 日期 演講者 演講題目 邀請者

3 311 呂宗昕 教授 台灣大學化工系

奈米科技與奈米世界 羅幼旭

4 318 林志彪 教授 東華大學化學系

TBA 化學系

5 325 曹英彥 博士 中油公司

Preparation Characterization and Applications of Zeolite-supported

Subnano Metallic Particles

林志彪

7 48 陳慶年 博士 NIH (USA)

Magnetic Resonance Imaging ndash from a chemistrsquos perspective

錢嘉琳

8 415 Dr Wei Gang

Metal Based Self-Assembly in Supramolecular Chemistry

化學系

9 422 裘性天 教授 交通大學應化系

Growth of Inorganic Solids at the Interphase

林志彪

13 520 王雲銘 教授 高醫應化系

Synthesis and characterization of bio-activated contrast agents for Magnetic Resonance Imaging

劉鎮維

14 527 Prof John Z H ZhangNew York Univ

New Quantum Computational Study of Proteins

張秀華

15 63 林震煌 教授 臺灣師範大學化學系

毛細管電泳線上濃縮技術的發展

與應用 何彥鵬

16 610 李衍彰 教授 彰化師範大學化學系

Synthesis of the natural products as anti-tumor agents

註每週五下午 310pm-500pm

理二講堂

- 18 -

淡江大學化學系 93 學年度第(二)學期演講公告 演講時間每週一下午 210~400演講地點教育館 (Q-409)

日期 時間 演講者 演講題目

221(一) 210~400 傅達勳 危險物及毒化物之認識與運作

307(一) 210~400 Prof Yoshito Takeuchi(Kanagawa University)

Organogermanium Chemistry-A Wonderland of Heteroatom Chemistry

314(一) 210~400 張增輝教授 (美國紐約大學)

321(一) 210~400 施增廉 (淡江大學化學系)

Syntheses of a New Trihydroxy Piperidine Derivative Quercitols and Azepanes for Glycosidase Inhibitors from D-(-)-quinic Acid

328(一) 210~400 陳振漢

(國防醫學院生物晶片

中心)

蛋白質體技術之發展與應用

418(一) 210~400 林唯芳教授 (台大材料系)

分子奈米材料及元件應用

425(一) 210~400 刁維光副教授 (交大應化所)

紫質分子在奈米結構中的光物理與光化學

502(一) 210~400 楊禮明教授 (中國醫藥研究所)

509(一) 210~400 劉廣定教授 (台大化學系)

永續化學與液晶製備

516(一) 210~400 林倫年副研究員 (台大凝態中心)

523(一) 210~400 翁啟惠院士 (中研院)

化學生物與後基因時代之研究

530(一) 210~400 曾惠芳助理教授 (暨大應化系)

毛細管電泳在生化分析上的應用

606(一) 210~400 侯敦仁助理教授 (中央大學化學系)

合環歧化(Ring-Closing Metathesis)之合成

應用

613(一) 210~400 謝明發研究員 (工研院)

The polymeric nano-particles for drug delivery vehicles

- 19 -

中原大學化學系

93 學年度下學期-「學術專題演講」日程表

時間每週三 1500-1630

地點理學館 1樓講堂

主持人葉華光老師 聯絡電話03-2653305 日期 講員 標題 負責

實驗室

223 休息

32 中研院化學研究

所孫世勝博士 Fluorescent Conjugated Polymer-Based Chemosensors

楊千金老師

Lab

39 休息

316 中興大學化學系

林寬鋸教授

未定 葉華光老師

Lab

323 休息 (運動會)

330 南台科技大學

林鴻儒教授 Porous Scaffolds for Bone Tissue Engineering

李世琛老師

Lab

46 休息 (校外實習週)

413 台大醫學院

藥學研究所

李水盛教授

未定 蔡宗燕老師

Lab

420 休息 (期中考)

427 國立陽明大學

周成功教授 How to Struggle with a Novel Gene in the Genome Era

葉瑞銘老師

Lab

54 東吳大學

傅明仁教授 Drug analysis by LC-ES-MS

蔡祐輔老師

Lab

511 休息

518 休息

525 國立成功大學

林弘萍教授

中孔洞氧化矽和碳材料合成與應用 江彰吉老師

Lab

61 華邦電子

周良奎經理

The application of CMP in IC Fabrication

陳玉惠老師

Lab

68 清華大學化學系

劉行讓教授 Reductive Decyanation A Powerful Tool in Organic Synthesis

黃悉雅老師

Lab

615 休息

備註1 請各場次負責的實驗室於演講前做好教具測試 2 自本學期起各場次負責之實驗室僅提供茶水不再準備點心

- 20 -

國立嘉義大學應用化學系 九十三學年度第二學期演講公告

(學期中演講增刪或更新請以即期演講公告為準)

日期 時間 演 講 者 講 題

223

(三) pm1520

~1700 陳勁初主任 (葡萄王生技中心主任)

生技保健食品開發

302

(三) pm1520

~1700 陳泊余教授(高雄醫學大學 醫藥暨應用化學系)

The application of ionic liquids in electrochemistry

316

(三) Pm1520

~1700 陳焜銘教授 (師範大學化學系)

The development of camphor derived chiral ligands for asymmetric reactions

323

(三) pm1520

~1700 何佳安教授 (暨南大學化學系)

Liposome in Diagnostic Microbiology

330

(三) pm1330

~1510 夏克山博士 (國家衛生研究院)

Discovery of New Stem Cell Mobilizers Antagonizing CXCR4 Chemokine Receptor

406

(三) pm1520

~1700 陳幹男教授 (淡江大學化學系)

Hybridization of Aqueous-based Polymers

413

(三) pm1520

~1700 汪炳鈞教授 (清華大學化學系)

Asymmetric Synthesis Using Camphor Derived Chiral Ligands

504

(三) pm1520

~1700 林震煌教授 (師範大學化學系)

毛細管電泳線上濃縮技術的發展

與應用

427

(三) pm1520

~1700 劉英麟教授 (中原大學化工系)

應用二氧化矽奈米粒子於高分子

材料改質

註演講地點在工程館四樓視聽教室

- 21 -

中 央 研 究 院 化 學 研 究 所 INSTITUTE OF CHEMISTRY ACADEMIA SINICA

學 術 演 講 (Chemistry Colloquium)

0106 (四) 1530

唐本忠教授 香港科技大學 (推薦人 陶雨台教授) Light-Emitting Polyenes Polyynes and Polyarylenes

0110 (一) 1530

Prof Rudy Marcus California Institute of Technology USA (推薦人 許昭萍教授) Puzzling phenomena in the fluorescence intermittency of single quantum dots theory and experiment (地點 周大紓講堂)

0114 (五) 1530

Prof Samson A Jenekhe University of Washington USA (推薦人 陶雨台教授) Organic Electronics and Optoelectronics

0125 (二) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Design and Synthesis of Tumor-Targeting Boron Molecules

0126 (三) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Chemistry of Bis-π-allylpalladium for Organic Synthesis

0127 (四) 1530

Prof Teruo Shinmyozu Kyushu University Japan (推薦人 周大新教授) Synthesis Structure and Photochemical Properties of [3n]Cyclophanes (n = 2-6)

0129 (六) 功能性有機化合物的分子建構 小型研討會

0202 (三) 1530

曾志明教授 國立中興大學 (推薦人 陳錦地教授) Addressing grand energy challenges through advanced materials

0203 (四) 1030

江明錫博士 國立清華大學 (Interview Talk) f-ion speciation and d-f interaction toward electrocatalysis LnAn-polyoxotungstates

0218 (五) 1030

Dr Tiow-Gan Ong University of Ottawa Canada The stories of rationally designing a Guanidinate transition metal Complexes and constructing a Stable Carbene with a Novel Topology and Electronic Framework Their Role in Catalysis

0221 (一) 1030

Dr Chi-Wing Tsang University of British Columbia Canada (Interview Talk) Carborane - A New Weakly Coordinating Anion Utilizing P=C bonds in Polymer Chemistry

0225 (五) 1030

Dr Chen-Hsiung Hung National Changhua University of Education Metal Assisted Small Molecule Activations Using Porphyrin Analogues or NNO-Scorpionates as Ligands

0226 (六) 周大紓先生紀念研討會 (Ta-shue Chou Memorial Lecture) (地點 周大紓講堂)

0301 (二) 1030

Dr Wen-Yuan Hsieh Purdue University Synthesis Characterization of monomeric and dimeric Mn complexes

0302 (三) 1400

Prof Peter Chen Swiss Federal Institute of Technology Zurich Switzerland (推薦人 陸天堯教授) Organometallic Chemistry by ESI-MSMS High Valent Oxo Complexes Diolates Metallaoxetanes and Carbenes

0302 (三) 1530

Dr Sarah Thomas Royal Society of Chemistry Publishing Why Where and How (地點 周大紓講堂)

- 22 -

0303 (四) 1430

Prof Pierre Vogel Swiss Federal Institute of Technology Lausanne Switzerland (推薦人 陸天堯教授) Carbohydrate Mimetics Synthesis of C-Disaccharides Imino-C-disaccharides and Analogs and their Biological Properties

0303 (四) 1530

Prof Jay S Siegel University of Zurich Switzerland (推薦人 陸天堯教授) Cheap Fast and Out of Control Rationale for Combinatorial Chemistry

0304-05

第一屆台灣-瑞士雙邊有機合成研討會 Joint Swiss-Taiwanese Meeting ldquoFrontiers in Organic Synthesisrdquo (地點 國立台灣大學 原分所浦大邦演講廳)

0309 (三) Symposium

ldquoPhysical Studies on Photo- or Electron-responsive Materials 0310(四)

1400 陳月枝教授 國立交通大學 (推薦人 陳玉如教授) Title to be annouced

0324(四) 1530

王惠鈞所長 中研院生化所 (推薦人 陳長謙所長) Title to be announced

0407(四) 1530

Prof Richard Taylor University of York (推薦人 陸天堯教授) Title to be announced

0421(四) 1530

Prof Biswanath Das Indian Institute of Chemical Technology India (推薦人 畢爾曼教授) Investigation on Some Fundamental Reactions

地點A108 會議室 Revised on February 21 2005

- 23 -

國立彰化師範大學化學系九十三學年下學期專題演講一覽表

時間 演講者 服務單位 演講題目 地點 推薦人

411

pm 200 林建村

中央研究

院化學所 Electro-optic Materials from OLEDs to photovoltaics

藝薈館

系演講廳 李漢文

418

pm200 梁博煌

中央研究

院生化所 Anti-infectious drug discovery藝薈館

系演講廳 李衍彰

425

pm200 傅傳博

暨南大學

應化系 Development of Magnetic Separation for Analytical Chemistry

藝薈館

系演講廳 林秋薰

59

pm 200 蔡易州

清華大學

化學系 The power of Meal-Metal Multiple bonds

藝薈館

系演講廳 黃瑞賢

516

pm200 孫仲銘

東華大學

化學系 微波抗腫瘤藥物分子庫合成藝薈館

系演講廳 李衍彰

523

pm200 許昭萍

中央研究

院化學所 Electronic Coupling for electron transfer methods and applications

藝薈館

系演講廳 胡景瀚

66

pm200 林敬堯暨南大學

應化系

Tailoring ethynyl substituted porphyrins for photonic electrochemical and nano-related researches

藝薈館

系演講廳 洪政雄

613

pm200 莊琇惠

高雄大學

應化系 Chemical Vapor Deposition of Hafnium Oxonitride as High-k Materials

藝薈館

系演講廳 黃瑞賢

- 24 -

- 25 -

- 26 -

- 27 -

- 28 -

- 29 -

- 30 -

國科會化學推動中心補助學術研討會成果報告表

會議名稱94 年第一次國科會分析化學小組研討會

舉辦日期民國 94 年 2 月 19 日 至 民國 94 年 2 月 19 日

主辦機構國立中醫藥研究所國科會分析化學小組主持人蔡東湖傅明仁

舉辦地點國立中醫藥研究所 聯絡電話 02-2820 1999 ext 8091

出席人數工業界 人學術界(含學生) 110 人 共 110 人

會議重要成果 (如篇幅不足另以A4白紙填寫)

會議經過及議程

0900~0930 報到 0930~0940 主席國科會分析化學小組召集人傅明仁教授 0940~0950 致歡迎詞吳天賞教授 國立中醫藥研究所所長 0950~1040 專題演講食品中 acrylamide 之分析 周薰修博士 藥物食品檢驗局 主持人傅明仁教授 (東吳大學化學系) 1040~1110 茶點時間 1110~1200 專題演講哺乳動物體內 D-乳酸的分析 李仁愛助理教授 台北醫學大學藥學系

主持人蔡東湖教授 (國立中醫藥研究所) 1200~1320 中餐休息 1320~1410 專題演講利用分子轉印技術在人體肝臟細胞中重金屬中毒的飛 行式二次離子質譜儀(TOF-SIMS)離子影像分析研究 麥富德助理教授 中山醫學大學應用化學系

主持人李茂榮教授 (中興大學化學系) 1410~1500 專題演講具奈米結構之鋰電池電極材料研製與電化學析 劉茂煌助理教授 輔大化學系 主持人何國榮教授 (台灣大學化學系) 1500~1530 茶點時間 1530~1630 綜合座談跨領域幹細胞整合計畫

陳甫州教授 台中榮民總醫院 1630- 會議結束

- 31 -

重要收穫及心得

藉由此次會議接觸到來自各方的學術研究同仁也許各自專長的領域不盡相同但

對於分析化學的研究與應用有著彼此相同的努力目標相互的討論及觀摩不僅僅是成果

的分享更進一步帶來跨領域的合作靈感與契機

近來科學的發展已不再只靠一個人或一間實驗室單打獨鬥不同領域的結合發展漸

成顯學資訊與技術的交流也許會產生比預期更巨大的突破以生物科學這一個大的範

疇為例若缺少化學物理與數學的助益恐怕連傳統遺傳學理論都無法發展以古視今

現今各個次領域都擁有其各自的專長就跨領域幹細胞整合計畫而言只包含分生生理

的人才絕對不足分析化學甚至藥學的知識與技術也有其立足之地國科會分析化學小組

研討會就提供了這麼一個交流與合作的園地結合彼此的力量共同思考更遠大的未來 建議

首先先謝謝國科會化學推動中心的支持國科會分析化學小組的努力及國立中醫藥

研究所的配合使此次會議圓滿完成由於報名踴躍就一個一百多人參與的會議來說

此次補助的經費似乎稍嫌不足扣除演講者的講費及與會者的午餐其餘所剩無幾故將

來補助款若能依參與人數的多寡而稍做調整相信主辦機構能夠為與會者提供更好的服務

- 32 -

訪問教授訪問報告表

姓名 Prof Jean-Franccedilois Carpentier

訪問日期民國 94 年 2 月 20 日 至 民國 94 年 2 月 24 日

接待機構 清華大學化學系 接待人 季昀 教授 聯絡電話 (03) 5712956

訪問重要成果 (如篇幅不足另以A4白紙填寫)

1訪問經過

Prof Jean-Franccedilois Carpentier 於 20 日晚間抵達台灣經過一個晚上的短暫

休息星期一早晨赴台大化學系訪問中午與學生共進午餐交換研究心得並瞭解

該校研究狀況星期二赴淡江化學系訪問中午與晚間分別與學生與教員共進午晚

餐交換研究心得並瞭解該校研究近況並談及如何共同申請中法國際合作專案

星期三赴清大化學系訪問中午與該系教員共進午餐交換研究心得並瞭解該校研

究狀況晚間則回返回台北參觀一年一度的台北國際燈會星期四上午安排私人的

自由活動並赴台北市旅遊景點參訪晚間搭乘飛機離台

2演講行程及概要

2 月 21 日台灣大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 22 日淡江大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 23 日清華大學化學系Towards Green Plastics via Stereoselective Polymerization

of rac-Lactide with Discrete Group 3 Metal Complexes

3 重要收獲及心得

瞭解國際學術界在過渡金屬錯合物鑭系稀土錯合物的合成化學與催化反應方面的前

瞻進展狀態

並為建立合適管道執行未來國際學術合作促進國與國間的人員互動人員的相互

了解而努力

4其他意見

- 33 -

訪問教授訪問報告表

- 34 -

訪問教授訪問報告表

- 35 -

訪問教授訪問報告表

姓名Luis A Marky 教授 University of Nebraska Medical Center

訪問日期民國九十三年十二月四日至十一日

接待機構中央研究院 接待人甘魯生 聯絡電話02 2789 8550

訪問重要成果

訪問經過

Luis Marky 教授早年追隨熱力學

大師 Ken Breslauer之後為紐約

市大學及內布拉斯加州立大學

網羅是一位核酸熱力學專家

其論文發表在 J Am Chem Soc

Biochemistry Nucleic Acids Res

Methods Enzymol等知名國際專業雜誌上Marky 教授早在博士後研究員時即與本

人相識研究領域也相近一直有和他合作共同研究核酸的性質及結構的想法

他也對我們台灣非常友善此次有幸得到化學中心的資助得以邀請 Marky 來台

一方面洽談合作事誼一方面和國內學者及學生會談增進交流宣導有關核酸方

面的研究Marky 教授在短短一週內訪問了四所學術機構也以四個不同的題材

發表了四場學術演講次數相當密集把這次訪問推到最高峰幸好 Marky 教授

並不以為苦所以是一次成功的訪問 演講行程及概要

十二月四日星期六抵台

十二月五日星期日轉赴花蓮

十二月六日星期一

訪問國立東華大學

以ldquoDNA Hairpin Loops Folding Ligand Binding and Hydrationrdquo為題發表專題演講

- 36 -

十二月七日星期二

訪問中央研究院

以rdquoThermodynamics of DNA Triplexes Contributions of Base-Triplet Stacks and Base

Methylationrdquo為題發表專題演講

十二月八日星期三

訪問國立中正大學

以ldquoThermodynamics of DNA Triplexes Containing C-glycosides Basesrdquo為題發表專題

演講

十二月九日星期四

參觀故宮博物院

十二月十日星期五

訪問國立清華大學

以ldquoSherlock Holmesrsquos Adventures with Nucleic Acidsrdquo 為題發表專題演講

十二月十一日離台

重要收獲及心得

Marky 教授在信中稱他對四所訪問的學術機構中央研究院國立東華大學國

立中正大學及國立清華大學的教學及研究都有深刻的印也意外的面試了一位東

華生科所的學生準備收為研究生這是一件互惠之事Marky 教授也非常希望

能和我們合作共同研究

其他意見

(請見 Luis Marky 教授信)

- 37 -

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 2 -

(三) 同意推薦「第五屆海峽兩岸催化學術研討會」為國科會兩岸學術科技研討會並建 議補助金額三十五萬元

(四) 同意補助下列研討會經費如下

會議名稱 補助金額 備 註 1第十一屆分析化學技術交流研討會 25000 元 2第二十三屆台灣區觸媒與反應工程 研討會

25000 元

3無機化學研討會 請補詳細議程後再審查 4無機錯鹽化學小組研討會 25000 元

- 3 -

中研院原分所與台大化學系九十三學年度第二學期演講

日期 演講者 講題 0224 (四)

1530

林唯芳教授 (台灣大學材料所)

Organic Solar Cell 有機太陽能電池

0303 (四)

1530

孟心飛教授 (交通大學物理所) Physics and Devices of Conjugated Polymers

0324 (四)

1530

Prof Michel Herman (Universiteacute Libre de Bruxelles Belgium)

Recent Developments in High Resolution Fourier Transform Spectroscopy From Atmospheric Fingerprints to Vibrational Alchemy

0331 (四)

1530

倪衛新主任 (國家奈米元件實驗室) (To be announced)

0407 (四)

1530

Prof John Zhang (張增輝教授) (Department of Chemistry New York University USA)

An Efficient New Approach for Quantum Calculation of Proteins

0414 (四)

1530

游靜惠教授 (清華大學化學系)

Theoretical Investment of Hydrogen Bond Cooperativity and Stable Triplet Biradicals

0421 (四)

1530

白果能博士 (中央研究院生醫所)

High Sensitivity and High Throughput Detection of Viruses

0428 (四)

1530

吳天鳴教授 (交通大學物理所) (To be announced)

0505 (四)

1530

林寬鋸教授 (中興大學化學系)

Navigating Artificial Muscle on ID Supramolecular Systems

0512 (四)

1530

Prof Jack Saltiel (Florida State University USA)

The Photophysics and Photochemistry of Diphenylhexatriene Overcoming Nonlinear Effects in Spectral Resolution

0519 (四)

1530

張玉明博士 (台灣大學凝態科學研究中心)

Electron Accumulation in the Near Surface Region of InN

0526 (四)

1530

吳益群教授 (台灣大學分子細胞生物學研究

所)

Cell Death in C Elegans Gene Discovery and Functional Analysis

0602 (四)

1530

張瑛芝博士 (中央研究院基因體研究中心)

Grafted Polypeptide Assisted Thin Film Fabrication at Planar Solid Surfaces

0609 (四)

1530

Prof John Zhang (張增輝教授) (Department of Chemistry New York University USA)

Computational Study for Protein-ligand Binding and Drug Design

- 4 -

國立中央大學化學系九十三年度第二學期專題演講

時間 演講人 單 位 講 題 地點 邀請人 邀請人分機

0304 林弘萍 成大化學系 中孔洞碳材之合成與

應用 S5-101 高憲明 65932

0311 傅明仁 東吳化學系 Drug Analysis by LC-ES-MS

S5-101 丁望賢 65905

0315 Atsunori Mori

東京工業大學 Transition Metal-Catalyzed

Reactions of Alkynes and Heteroaromatic

Compounds

S5-101 楊吉水 65925

0318 王心心 工研院化工所 光電用染料及其應用 S5-101 楊吉水 65925 0325 楊定亞 東海化學系 Synthesis of

4-hydroxycoumarin derivatives and its

applications

S5-101 侯敦仁 65981

0408 林英智 台大化學系 Organometallic complexes containing

unsaturated three-membered ring

ligand

S5-101 陳銘洲 65943

0415 黃炳照 台科大 過量鋰層狀陰極材料

異常充放電機構 S5-101 諸柏仁 65902

0506 王立義 台大凝態 Development of donoracceptor hybrid materials for organic

solar cell

S5-101 吳春桂 65903

0513 Jack Saltiel

美國佛羅里達

大學 From Photoisomerism

and Rotamerism to Bacteriorhodopsin

S5-101 楊吉水 65925

0520 胡景瀚 彰師大化學系 未定 S5-101 張伯琛 65908 0527 李度 中大化材系 Biomimetic

crystallization from evolution to revolution

S5-101 李光華 65930

- 5 -

國立台灣師範大學化學系九十三學年第二學期專題演講

日期 主講者 題目 邀請人 演講場地

3 月 3 日

瑞士理工大學 Prof Eric Carreira Prof Phillippe Renaud

未定 陳建添教授 F322

3 月 4 日 日本神奈川大學化

學系 竹內敬人教授

Organogermanium Chemistry-A Wonderland of Heteroatom Chemistry

葉名倉教授 F322

3 月 14 日 莊哲仁 博士 Pharmaceutical Process

Development 藥物製程開發

謝明惠教授 E302 教

(1) 台大生工系 廖秀娟教授

未定

王忠茂教授

E302 教

3 月 21 日 (2) 印度國家科學

院院長 Prof Metha (印度)

未定 陳建添教授 E302 教

3 月 28 日 同步輻射中心 許火順博士

蜘蛛絲裡的奈米晶體 洪偉修教授 E302 教

室 台灣科技大學化工

系 黃炳照教授

未定 王忠茂教授

4 月 11 日

Prof Richard Tayler 陳建添教授

E302 教

4 月 18 日 國立交通大學應化

陳月枝教授

未定 林震煌教授 E302 教

中研院原分所 曾文碧教授

未定 何嘉仁教授 4 月 25 日

Prof Vijay Nair 陳建添教授

E302 教

5 月 16 日 東華大學化學系 林志彪教授

Metal containing liquid crystals based on imidazoles

謝明惠教授 E302 教

6 月 6 日 中正大學化學系 洪伯誠教授

未定 陳焜銘教授 E302 教

6 月 13 日 暨南大學應用化學

系 何佳安教授

未定 林震煌教授 E302 教

時間(星期一) 第一場 PM 210 第二場 PM 330

以附註者之演講時間為星期三 900~1030 am 歡迎系上教職員生踴躍參加 附註資料陸續更新中請見本系網頁的系公佈欄的專題演講

- 6 -

成功大學化學系 93 學年下學期 專題演講 題目

日期 NAME 服務單位 職稱 題目 主持人

3 2 PM210

日 杜慶光 Univ of Florida 教授 Proton Transfer in Carbon Anhydrases 孫亦文

3 9 PM210

日 林俊成 中央研究院

化學所 副研究員 Synthesis of Complex Carbohydrate and

Application of Carbohydrate Encapsulated Nanoparticle and Microarray

黃得時

316 PM210

日 PM610

陳甫州 台中榮總醫研部 教授 腦中風動物模式與幹細胞治療研究 陳淑慧 桂椿雄

323 PM210

日 Michael Herman 國科會訪問教授 教授 未定 葉晨聖

330 PM210

日 PM610

周錦生 亞洲基因科技 (股)公司 總經理 Advancement of Molecular Diagnostics 葉晨聖

413 PM210

日 許桂芳 成功大學化學系 助理教授 熱電材料的合成與應用 黃文亮

420 PM210

日 高憲明 中央大學化學系 副教授 Synthesis and Characterization of

Mesoporous Silica SBA-1 葉晨聖

420 PM610

夜 鄭豐裕 成功大學化學系 博士候選人

Synthesis of Magnetic Nanoparticles and its Application in Biomedicine 葉晨聖

511 PM210

日 鄭豐裕 成功大學化學

系 博士候選人Synthesis of Magnetic Nanoparticles and

its Application in Biomedicine 葉晨聖

518 PM210

日 胡景瀚 彰化師範大學

化學系 教授 Theoretical Study on the Catalysis of N-heterocyclic Carbenes 葉晨聖

525 PM210

日 邱惠琪 成功大學化學

系 博士後研究

員 A study of Novel electrodes of the Reduction of

Oxygen and the Determination of CO2 孫亦文

- 7 -

國立高雄師範大學化學系93學年度第二學期演講公告 日 期 時 間 演 講 者 講 題

314 (一) 1430

丁尚武 教授

中山大學化學系

Applications of solid state NMR spectroscopy and imaging in the studies of materials and biological systems(固態核磁共振光譜和影

像在研究材料和生物系統中的應用)

321 (一) 1430

陳振興 教授

高雄大學應用化學系

利用旋轉環狀圓盤電極探討鋰離子二次

電池中鋰錳電極材料容量的衰退與錳離

子溶解之關係

331 (四) 1430

蔡厚仁 教授

中正理工學院應用化學系

從含氟的Ylides合成單氟及雙氟烯類化

合物

47 (四) 1430

傅明仁 教授

東吳大學化學系 Drug Analysis by LC-ES-MS

418 (一) 1430

潘樹德 技術經理

中環科技事業有限公司 環境污染物檢測

428 (四) 1430

何君艷 副理

財團法人中興工程顧問

社環境工程研究中心 環境檢驗化學

516 (一) 1430

徐秀福 教授

淡江大學化學系 從化學家的角度切入液晶材料之設計

530 (一) 1430

許鏵芬 教授

成功大學化學系 Vanadium chemistry relevant to the biological system

- 8 -

國立中興大學化學系演講日程表

地點化學館 1 樓視聽教室 (93 學年度下學期)930201 時 間 演 講 人 演 講 題 目

0223 1030~1200

星期三

Postdoctoral Associate with Professor John F Hartwig at Yale University

李進發博士

1 From Propargylic Dithioacetals to 235-trisubstituted Furans

Toward Molecular Nanowire

2 Synthesis and Applications of Fluoroalkylphosphines 0302

1030~1200 星期三

嘉南藥理科技大學 王來好教授

Developments in Electrochemical Detection for Liquid Chromatography in Medicine and Chemistry

0309 1030~1200

星期三

中興大學 生物醫學研究所

闕斌如教授

A Tumor-Associated Cellular Target for the Anticancer Actions of Capsaicin and Green Tea Catechin

0316 1030~1200

星期三

淡江大學化學系 徐秀福教授

Design and Properties of Liquid Crystals with Board-like and Disk-like Cores

0323 1030~1200

星期三 黃聖言博士

Dynamics of Supercooled Water in Confinement

0330 1030~1200

星期三

國科會自然處 瞿港華副研究員

綠色溶液-離子液體與超臨界流體在金屬分離上的應用 (The Application of Ionic Liquid and Supercritical Fluid on the Separation of Metal Species )

0413 1030~1200

星期三

清華大學化學系 沙晉康教授

Radical and Ionic Cyclizations of α-Indo Ketones

Applications in the Total Synthesis of Natural Products

0420 1030~1200

星期三

淡江大學化學系 王文竹教授

螺旋超分子

0427 1030~1200

星期三

東華大學化學系 劉福成教授

Organohydroborate Chemistry of Early Transition Metal Complexes

0504 1030~1200

星期三

台灣大學化學系 劉如熹教授

具零維核殼結構及一維奈米金屬合成與特性分析研究

0511 1030~1200

星期三

中研院基因體中心 楊安綏研究員

Artificial protein binders as antibody alternatives

0518 1030~1200

星期三

中正大學化學系 于淑君教授

未定

- 9 -

高雄大學應用化學系

93 學年度第(二)學期演講公告 演講地點為理工二演講廳

日期 時間 演 講 者 講 題

940310 (四) 0220

董騰元 教授

(中山大學 化學系) Design and Preparation of Molecular Wire and Motor

940317 (四) 0220

方冠榮 教授

(成功大學 材料科學及

工程學系)

Materials and its processing for advanced energy technologies

940414 (四)

0220

萬海威 董事長

(聯茂電子公司) To be announced

940428 (四)

0220

蔡文亮 教授

(高雄師範大學 化學系)

Molecular Design Synthesis Identification and Physical Properties of Liquid Crystals

940519 (四)

0220

游靜惠 教授

(清華大學 化學系)

Theoretical investment of Hydrogen Bond Cooperativity and Stable Triplet Biradicals

- 10 -

輔仁大學化學系

九十三學年度下學期專題演講時間表

日期 演講者 服務單位 演講題目

317 陳重裕 工研院化工所 化學品應用於光電產業的趨勢

與機會

324 周良奎 華邦電子 The application of CMP(Chemical Mechanical Polish) in IC fabrication

331 鍾崇燊 清華大學化學系 如何培育學生的化學創造力

407 王家麟 中央大學化學系 空氣中氣態有機汙染物的自動

量測與空氣汙染問題

414 陳錦地 中研院化學所 Maleimide Fluorophores and their Copolymers for Red Organic Light-Emitting Diodes

428 何子樂 交大應化所 Synthesis Design by Symmetry Considerations amp Chemical Riddles

505 林震煌 師大化學系 毛細管電泳線上濃縮堆積技術

的發展與應用 時間 星期四下午 140 地點 化學系 CH118 教室

- 11 -

國立中山大學化學系 九十三學年度第二學期專題演講

( 聯絡電話化學系 TEL(07)5252000 轉 3901) 日期時間 主 講 人 題 目 連絡人

940223 1410-1500

杜慶光 博士 美國佛羅里達大學藥學系

Proton Transfer in Carbonic Anhydrases 黃宣容

940302 1410-1500

陳生明 教授 台北科技大學化工系

薄膜修飾電極電催化及生物電化學 黃宣容

940309 1410-1500

蕭志農 博士

神隆股份有限公司 Chromatography in Process Chemistry 張彥誠

940316 1410-1500

張增輝 教授

美國紐約大學 New Method for Quantum Chemical Study of Proteins 陳國美

940323 1410-1500

洪文俊 所長 中山生醫所

Chemistry and Biology 謝建台

940330 1410-1500

徐秀福 教授 淡江化學系

液晶材料設計-從化學家的觀點切入 王志偉

940413 1410-1500

王先知 副所長 工研院化工所

工研院的奈米生醫研發 陳國美

940420 1410-1500

陸天堯 教授 台大化學系

Helical Double Stranded Polymers 周金興

940504 1410-1500

陳仲瑄 研究員 中研院基因體研究中心

Ultrasensitive Detection Technologies and their Biomedical Applications 黃宣容

940511 1410-1500

李漢文 教授 彰師大化學系

The Chemistry of Phosphine-functionalized N-heterocyclic

Carbene

梁蘭昌

940528 1410-1500

蕭世裕 教授 成大化學系

Preparation of Magnetic Nanoparticles as Drug

Carriers

周金興

940601 1410-1500

林達顯 教授 陽明大學生化所

Structural Determination of Apolipoprotein E and β-amyloid Peptide

丁尚武

演講地點理小劇場(理 1001)

- 12 -

國立暨南國際大學 應用化學系 93 學年度第二學期 演講公告

日期 時間 演講者 講題

94225 (五) PM320~500

林敬堯 (暨南大學應化系助理教授)

Tailoring Ethynyl Substituted Porphyrins for Photonic Electrochemical and Nano-Scale Related Researches

9434 (五) PM320~500

王忠茂 (台灣師範大學化學系教授)

Photoelectrochemistry on Zeolites

94311 (五) PM320~500

陳皓君 (中正大學化學暨生物化學系教

授)

Damage of DNA and ProteinsReactions and Analysis

94325 (五) PM320~500

裘性天 (交通大學應用化學系教授)

Growth of Inorganic Solids at the Interphase

9448 (五) PM320~500

周禮君 (中正大學化學暨生物化學系教

授)

Biosensors

94415 (五) PM320~500

葉晨聖 (成功大學化學系教授)

NanomaterialsMetal and Metal Oxide

94422 (五) PM320~500

林萬寅 (台灣大學化學系教授)

Mechanism and Chemiluminescence of Microperoxidase-Catalyzed Reactions

94429 (五) PM320~500

陳暉 (中央大學化材系教授)

均一粒徑高分子微粒子的製

備與其在光子晶體上之應用

9456 (五) PM320~500

黃賢達 (清華大學化學系教授)

Simultaneous Determination of Trace Elements in Urine by GFAAS

94520 (五) PM320~500

楊吉水 (中央大學化學系副教授)

The Photochemistry of N-Aryl-Substituted trans-4-aminostilbenes

94527 (五) PM320~500

蔡世榮 (工研院化工所高分子技術組

正研究員兼組長)

機能性染料之微波合成與應

9463 (五) PM320~500

陳幹男 (淡江大學化學系教授)

Curing Reaction and Functionalization of Agueous-based Polyurethane

地點科技一館 第一演講廳

- 13 -

朝陽科技大學應用化學系

93 學年度第(二)學期演講公告

未特別註明者演講地點為圖書館一樓演講廳

(學期中演講增刪或更新請以即期演講公告為準)

日期 時間 演 講 者 講 題

31

(二) 130 PM

阮若屈 教授

(中央大學化學工程與材料工

程學系)

Quantum Dot Biotechnology

38

(二) 130 PM

韓肇中 博士

(中央研究院原子與分子科學

研究所)

Diamond New Biomedical Material for the Post-genomic Era

329

(二) 130 PM

孫世勝 博士

(中央研究院化學研究所)

Fluorescent Conjugated Polymer-Based Chemosensors

426

(二)

130 PM

(教學大樓

T1-207)

洪豐裕 教授

(中興大學化學系系主任)

Palladium Catalyzed Coupling Reactions Using Cobalt-Containing Bulky Phosphine Ligands

503

(二)

130 PM

(教學大樓

T1-207)

許嘉生 董事長

(穀盛股份有限公司) 未定

531

(二) 130 PM

洪政雄 教授

(彰化師範大學化學系) 未定

67

(二) 130 PM

何佳安 教授

(暨南國際大學應用化學系)

Applications of Liposomes in Biomedicine and Diagnostics

0614

(二) 130 PM

吳立真 教授

(暨南國際大學應用化學系)未定

- 14 -

台大化學系暨化學研究推動中心

93 學年度第(二)學期演講公告

未特別註明者演講地點為浦大邦講堂

(學期中演講增刪或更新請以即期演講公告為準)

日期 演 講 者 講 題

推薦者

221 (一)

330

Prof Jean-Franccedilois CARPENTIER

(Universiteacute de Rennes 1)

Lanthanide Complexes Incorporating Fluorenyl-based Ligands Unusual Bonding

Modes and Unique initiators for syndiospecific styrene polymerization

陳竹亭 教授

222 (二)

400

Dr Hung-Wen Li (Mcgill Chemistry Canada)

Single-Molecule Mechanistic Study of DNA Repair Enzymes

陳竹亭 教授

223 (三)

330

(化四)

Dr Tsang Chi-Wing (Research Associate Univ of

British Columbia) Utilizing P=C bonds in Polymer Science

劉緒宗 教授

224 (四)

200

Prof Yong Hae Kim Distinguished Professor of

KAIST Dept of Chemistry Korea

Dramatic Stereofacial Control in Asymmetric Syntheses

陸天堯 教授

225 (五)

330

黃乃正 (香港中文大學)

The Chemistry of Hydroxytetraphenylenes

陸天堯 教授

31 (二)

200

Prof Seebach Dieter Synthesis and Structures of β-Peptides

陸天堯 教授

33 (四)

200

(會議室)

Dr Sarah Thomas Dr Robert Parker

Dr David Barr (英國皇家學會)

TBA

陸天堯 教授

33 (四)

315

(化四)

Prof Yoshito Takeuchi (Department of Chemistry

Faculty of ScienceKanagawa University)

Organogermanium ChemistrymdashA Wonderland of Heteroatom Chemistry

陳竹亭 教授

- 15 -

日期 演 講 者 講 題

推薦者

33 (四)

415

(化四)

Prof Wasuke Mori (Department of Chemistry

Faculty of ScienceKanagawa University)

Microporous Materials of Metal Carboxylates Gas-occlusion Properties Inclusion Complex

Formation with Organic Polymer and Catalytic Activities for Hydrogenation of Olefins

陳竹亭 教授

345 (五六)

全日

台灣瑞士雙邊有機合成研討會

陸天堯 教授

38 (二)

200

Prof Hung-Wen Liu Learning natures strategies for making unusual sugars

陸天堯 教授

310 (四)

200

Prof Luisa De Cola (Chair of Molecular

Photonic Materials Van t Hoff Institute for Molecular

Sciences (HIMS) Univ of Amsterdam The

Netherlands)

Covalently and NonCovalently Linked Molecular Wires

陸天堯 教授

310 (四)

330

Prof Jeffery I Zink (UCLA)

Nano-Structured Sol-Gel Materials and Functional Molecular Machines

陳昭岑 教授

317 (四)

330

Prof Atsunori Mori (東京工業大學資源化學研

究所副教授)

Transition Metal-Catalyzed Reactions of Alkynes and Heteroaromatic

Compounds

陸天堯 教授

325 (五)

330

Prof G Mehta TBA

陸天堯 教授

4 8 (五)

330

Prof Richard Taylor TBA

陸天堯 教授

415 (五)

200

Prof Oshio (Tsukuba University)

High-Spin molecules toward single-molecule magnets

彭旭明 教授

415 (五)

330

黃迪靖 博士 (國家同步輻射研究中心副

研究員)

Charge and Orbital Ordering in Transition-Metal Oxides

劉如熹 教授

- 16 -

日期 演 講 者 講 題

推薦者

422 (五)

330

林建村 博士 (中研院化學所)

Electro-optic Materialsfrom OLEDs to Photovoltaics

陸天堯 教授

429 (五)

330

Prof Vijay nair TBA

陸天堯 教授

56 (五)

330

林寬鋸 教授 (中興大學化學系)

1D-Semiconducting Metal OxidesSynthesis and Applications

陸天堯 教授

520 (五)

330

許千樹 教授 (交通大學應用化學系)

Nanostructure Enhanced Polymer Light Emitting Diodes

陸天堯 教授

63 (五)

330

孫仲銘 教授 (東華大學化研所)

微波合成抑制新生血管增生先導藥物分子庫

陸天堯 教授

610 (五)

330

蔡明道 博士 (中央研究院基因體中心)

TBA

陸天堯 教授

- 17 -

93 學年第二學期 國立東華大學化學系專題演講

週次 日期 演講者 演講題目 邀請者

3 311 呂宗昕 教授 台灣大學化工系

奈米科技與奈米世界 羅幼旭

4 318 林志彪 教授 東華大學化學系

TBA 化學系

5 325 曹英彥 博士 中油公司

Preparation Characterization and Applications of Zeolite-supported

Subnano Metallic Particles

林志彪

7 48 陳慶年 博士 NIH (USA)

Magnetic Resonance Imaging ndash from a chemistrsquos perspective

錢嘉琳

8 415 Dr Wei Gang

Metal Based Self-Assembly in Supramolecular Chemistry

化學系

9 422 裘性天 教授 交通大學應化系

Growth of Inorganic Solids at the Interphase

林志彪

13 520 王雲銘 教授 高醫應化系

Synthesis and characterization of bio-activated contrast agents for Magnetic Resonance Imaging

劉鎮維

14 527 Prof John Z H ZhangNew York Univ

New Quantum Computational Study of Proteins

張秀華

15 63 林震煌 教授 臺灣師範大學化學系

毛細管電泳線上濃縮技術的發展

與應用 何彥鵬

16 610 李衍彰 教授 彰化師範大學化學系

Synthesis of the natural products as anti-tumor agents

註每週五下午 310pm-500pm

理二講堂

- 18 -

淡江大學化學系 93 學年度第(二)學期演講公告 演講時間每週一下午 210~400演講地點教育館 (Q-409)

日期 時間 演講者 演講題目

221(一) 210~400 傅達勳 危險物及毒化物之認識與運作

307(一) 210~400 Prof Yoshito Takeuchi(Kanagawa University)

Organogermanium Chemistry-A Wonderland of Heteroatom Chemistry

314(一) 210~400 張增輝教授 (美國紐約大學)

321(一) 210~400 施增廉 (淡江大學化學系)

Syntheses of a New Trihydroxy Piperidine Derivative Quercitols and Azepanes for Glycosidase Inhibitors from D-(-)-quinic Acid

328(一) 210~400 陳振漢

(國防醫學院生物晶片

中心)

蛋白質體技術之發展與應用

418(一) 210~400 林唯芳教授 (台大材料系)

分子奈米材料及元件應用

425(一) 210~400 刁維光副教授 (交大應化所)

紫質分子在奈米結構中的光物理與光化學

502(一) 210~400 楊禮明教授 (中國醫藥研究所)

509(一) 210~400 劉廣定教授 (台大化學系)

永續化學與液晶製備

516(一) 210~400 林倫年副研究員 (台大凝態中心)

523(一) 210~400 翁啟惠院士 (中研院)

化學生物與後基因時代之研究

530(一) 210~400 曾惠芳助理教授 (暨大應化系)

毛細管電泳在生化分析上的應用

606(一) 210~400 侯敦仁助理教授 (中央大學化學系)

合環歧化(Ring-Closing Metathesis)之合成

應用

613(一) 210~400 謝明發研究員 (工研院)

The polymeric nano-particles for drug delivery vehicles

- 19 -

中原大學化學系

93 學年度下學期-「學術專題演講」日程表

時間每週三 1500-1630

地點理學館 1樓講堂

主持人葉華光老師 聯絡電話03-2653305 日期 講員 標題 負責

實驗室

223 休息

32 中研院化學研究

所孫世勝博士 Fluorescent Conjugated Polymer-Based Chemosensors

楊千金老師

Lab

39 休息

316 中興大學化學系

林寬鋸教授

未定 葉華光老師

Lab

323 休息 (運動會)

330 南台科技大學

林鴻儒教授 Porous Scaffolds for Bone Tissue Engineering

李世琛老師

Lab

46 休息 (校外實習週)

413 台大醫學院

藥學研究所

李水盛教授

未定 蔡宗燕老師

Lab

420 休息 (期中考)

427 國立陽明大學

周成功教授 How to Struggle with a Novel Gene in the Genome Era

葉瑞銘老師

Lab

54 東吳大學

傅明仁教授 Drug analysis by LC-ES-MS

蔡祐輔老師

Lab

511 休息

518 休息

525 國立成功大學

林弘萍教授

中孔洞氧化矽和碳材料合成與應用 江彰吉老師

Lab

61 華邦電子

周良奎經理

The application of CMP in IC Fabrication

陳玉惠老師

Lab

68 清華大學化學系

劉行讓教授 Reductive Decyanation A Powerful Tool in Organic Synthesis

黃悉雅老師

Lab

615 休息

備註1 請各場次負責的實驗室於演講前做好教具測試 2 自本學期起各場次負責之實驗室僅提供茶水不再準備點心

- 20 -

國立嘉義大學應用化學系 九十三學年度第二學期演講公告

(學期中演講增刪或更新請以即期演講公告為準)

日期 時間 演 講 者 講 題

223

(三) pm1520

~1700 陳勁初主任 (葡萄王生技中心主任)

生技保健食品開發

302

(三) pm1520

~1700 陳泊余教授(高雄醫學大學 醫藥暨應用化學系)

The application of ionic liquids in electrochemistry

316

(三) Pm1520

~1700 陳焜銘教授 (師範大學化學系)

The development of camphor derived chiral ligands for asymmetric reactions

323

(三) pm1520

~1700 何佳安教授 (暨南大學化學系)

Liposome in Diagnostic Microbiology

330

(三) pm1330

~1510 夏克山博士 (國家衛生研究院)

Discovery of New Stem Cell Mobilizers Antagonizing CXCR4 Chemokine Receptor

406

(三) pm1520

~1700 陳幹男教授 (淡江大學化學系)

Hybridization of Aqueous-based Polymers

413

(三) pm1520

~1700 汪炳鈞教授 (清華大學化學系)

Asymmetric Synthesis Using Camphor Derived Chiral Ligands

504

(三) pm1520

~1700 林震煌教授 (師範大學化學系)

毛細管電泳線上濃縮技術的發展

與應用

427

(三) pm1520

~1700 劉英麟教授 (中原大學化工系)

應用二氧化矽奈米粒子於高分子

材料改質

註演講地點在工程館四樓視聽教室

- 21 -

中 央 研 究 院 化 學 研 究 所 INSTITUTE OF CHEMISTRY ACADEMIA SINICA

學 術 演 講 (Chemistry Colloquium)

0106 (四) 1530

唐本忠教授 香港科技大學 (推薦人 陶雨台教授) Light-Emitting Polyenes Polyynes and Polyarylenes

0110 (一) 1530

Prof Rudy Marcus California Institute of Technology USA (推薦人 許昭萍教授) Puzzling phenomena in the fluorescence intermittency of single quantum dots theory and experiment (地點 周大紓講堂)

0114 (五) 1530

Prof Samson A Jenekhe University of Washington USA (推薦人 陶雨台教授) Organic Electronics and Optoelectronics

0125 (二) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Design and Synthesis of Tumor-Targeting Boron Molecules

0126 (三) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Chemistry of Bis-π-allylpalladium for Organic Synthesis

0127 (四) 1530

Prof Teruo Shinmyozu Kyushu University Japan (推薦人 周大新教授) Synthesis Structure and Photochemical Properties of [3n]Cyclophanes (n = 2-6)

0129 (六) 功能性有機化合物的分子建構 小型研討會

0202 (三) 1530

曾志明教授 國立中興大學 (推薦人 陳錦地教授) Addressing grand energy challenges through advanced materials

0203 (四) 1030

江明錫博士 國立清華大學 (Interview Talk) f-ion speciation and d-f interaction toward electrocatalysis LnAn-polyoxotungstates

0218 (五) 1030

Dr Tiow-Gan Ong University of Ottawa Canada The stories of rationally designing a Guanidinate transition metal Complexes and constructing a Stable Carbene with a Novel Topology and Electronic Framework Their Role in Catalysis

0221 (一) 1030

Dr Chi-Wing Tsang University of British Columbia Canada (Interview Talk) Carborane - A New Weakly Coordinating Anion Utilizing P=C bonds in Polymer Chemistry

0225 (五) 1030

Dr Chen-Hsiung Hung National Changhua University of Education Metal Assisted Small Molecule Activations Using Porphyrin Analogues or NNO-Scorpionates as Ligands

0226 (六) 周大紓先生紀念研討會 (Ta-shue Chou Memorial Lecture) (地點 周大紓講堂)

0301 (二) 1030

Dr Wen-Yuan Hsieh Purdue University Synthesis Characterization of monomeric and dimeric Mn complexes

0302 (三) 1400

Prof Peter Chen Swiss Federal Institute of Technology Zurich Switzerland (推薦人 陸天堯教授) Organometallic Chemistry by ESI-MSMS High Valent Oxo Complexes Diolates Metallaoxetanes and Carbenes

0302 (三) 1530

Dr Sarah Thomas Royal Society of Chemistry Publishing Why Where and How (地點 周大紓講堂)

- 22 -

0303 (四) 1430

Prof Pierre Vogel Swiss Federal Institute of Technology Lausanne Switzerland (推薦人 陸天堯教授) Carbohydrate Mimetics Synthesis of C-Disaccharides Imino-C-disaccharides and Analogs and their Biological Properties

0303 (四) 1530

Prof Jay S Siegel University of Zurich Switzerland (推薦人 陸天堯教授) Cheap Fast and Out of Control Rationale for Combinatorial Chemistry

0304-05

第一屆台灣-瑞士雙邊有機合成研討會 Joint Swiss-Taiwanese Meeting ldquoFrontiers in Organic Synthesisrdquo (地點 國立台灣大學 原分所浦大邦演講廳)

0309 (三) Symposium

ldquoPhysical Studies on Photo- or Electron-responsive Materials 0310(四)

1400 陳月枝教授 國立交通大學 (推薦人 陳玉如教授) Title to be annouced

0324(四) 1530

王惠鈞所長 中研院生化所 (推薦人 陳長謙所長) Title to be announced

0407(四) 1530

Prof Richard Taylor University of York (推薦人 陸天堯教授) Title to be announced

0421(四) 1530

Prof Biswanath Das Indian Institute of Chemical Technology India (推薦人 畢爾曼教授) Investigation on Some Fundamental Reactions

地點A108 會議室 Revised on February 21 2005

- 23 -

國立彰化師範大學化學系九十三學年下學期專題演講一覽表

時間 演講者 服務單位 演講題目 地點 推薦人

411

pm 200 林建村

中央研究

院化學所 Electro-optic Materials from OLEDs to photovoltaics

藝薈館

系演講廳 李漢文

418

pm200 梁博煌

中央研究

院生化所 Anti-infectious drug discovery藝薈館

系演講廳 李衍彰

425

pm200 傅傳博

暨南大學

應化系 Development of Magnetic Separation for Analytical Chemistry

藝薈館

系演講廳 林秋薰

59

pm 200 蔡易州

清華大學

化學系 The power of Meal-Metal Multiple bonds

藝薈館

系演講廳 黃瑞賢

516

pm200 孫仲銘

東華大學

化學系 微波抗腫瘤藥物分子庫合成藝薈館

系演講廳 李衍彰

523

pm200 許昭萍

中央研究

院化學所 Electronic Coupling for electron transfer methods and applications

藝薈館

系演講廳 胡景瀚

66

pm200 林敬堯暨南大學

應化系

Tailoring ethynyl substituted porphyrins for photonic electrochemical and nano-related researches

藝薈館

系演講廳 洪政雄

613

pm200 莊琇惠

高雄大學

應化系 Chemical Vapor Deposition of Hafnium Oxonitride as High-k Materials

藝薈館

系演講廳 黃瑞賢

- 24 -

- 25 -

- 26 -

- 27 -

- 28 -

- 29 -

- 30 -

國科會化學推動中心補助學術研討會成果報告表

會議名稱94 年第一次國科會分析化學小組研討會

舉辦日期民國 94 年 2 月 19 日 至 民國 94 年 2 月 19 日

主辦機構國立中醫藥研究所國科會分析化學小組主持人蔡東湖傅明仁

舉辦地點國立中醫藥研究所 聯絡電話 02-2820 1999 ext 8091

出席人數工業界 人學術界(含學生) 110 人 共 110 人

會議重要成果 (如篇幅不足另以A4白紙填寫)

會議經過及議程

0900~0930 報到 0930~0940 主席國科會分析化學小組召集人傅明仁教授 0940~0950 致歡迎詞吳天賞教授 國立中醫藥研究所所長 0950~1040 專題演講食品中 acrylamide 之分析 周薰修博士 藥物食品檢驗局 主持人傅明仁教授 (東吳大學化學系) 1040~1110 茶點時間 1110~1200 專題演講哺乳動物體內 D-乳酸的分析 李仁愛助理教授 台北醫學大學藥學系

主持人蔡東湖教授 (國立中醫藥研究所) 1200~1320 中餐休息 1320~1410 專題演講利用分子轉印技術在人體肝臟細胞中重金屬中毒的飛 行式二次離子質譜儀(TOF-SIMS)離子影像分析研究 麥富德助理教授 中山醫學大學應用化學系

主持人李茂榮教授 (中興大學化學系) 1410~1500 專題演講具奈米結構之鋰電池電極材料研製與電化學析 劉茂煌助理教授 輔大化學系 主持人何國榮教授 (台灣大學化學系) 1500~1530 茶點時間 1530~1630 綜合座談跨領域幹細胞整合計畫

陳甫州教授 台中榮民總醫院 1630- 會議結束

- 31 -

重要收穫及心得

藉由此次會議接觸到來自各方的學術研究同仁也許各自專長的領域不盡相同但

對於分析化學的研究與應用有著彼此相同的努力目標相互的討論及觀摩不僅僅是成果

的分享更進一步帶來跨領域的合作靈感與契機

近來科學的發展已不再只靠一個人或一間實驗室單打獨鬥不同領域的結合發展漸

成顯學資訊與技術的交流也許會產生比預期更巨大的突破以生物科學這一個大的範

疇為例若缺少化學物理與數學的助益恐怕連傳統遺傳學理論都無法發展以古視今

現今各個次領域都擁有其各自的專長就跨領域幹細胞整合計畫而言只包含分生生理

的人才絕對不足分析化學甚至藥學的知識與技術也有其立足之地國科會分析化學小組

研討會就提供了這麼一個交流與合作的園地結合彼此的力量共同思考更遠大的未來 建議

首先先謝謝國科會化學推動中心的支持國科會分析化學小組的努力及國立中醫藥

研究所的配合使此次會議圓滿完成由於報名踴躍就一個一百多人參與的會議來說

此次補助的經費似乎稍嫌不足扣除演講者的講費及與會者的午餐其餘所剩無幾故將

來補助款若能依參與人數的多寡而稍做調整相信主辦機構能夠為與會者提供更好的服務

- 32 -

訪問教授訪問報告表

姓名 Prof Jean-Franccedilois Carpentier

訪問日期民國 94 年 2 月 20 日 至 民國 94 年 2 月 24 日

接待機構 清華大學化學系 接待人 季昀 教授 聯絡電話 (03) 5712956

訪問重要成果 (如篇幅不足另以A4白紙填寫)

1訪問經過

Prof Jean-Franccedilois Carpentier 於 20 日晚間抵達台灣經過一個晚上的短暫

休息星期一早晨赴台大化學系訪問中午與學生共進午餐交換研究心得並瞭解

該校研究狀況星期二赴淡江化學系訪問中午與晚間分別與學生與教員共進午晚

餐交換研究心得並瞭解該校研究近況並談及如何共同申請中法國際合作專案

星期三赴清大化學系訪問中午與該系教員共進午餐交換研究心得並瞭解該校研

究狀況晚間則回返回台北參觀一年一度的台北國際燈會星期四上午安排私人的

自由活動並赴台北市旅遊景點參訪晚間搭乘飛機離台

2演講行程及概要

2 月 21 日台灣大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 22 日淡江大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 23 日清華大學化學系Towards Green Plastics via Stereoselective Polymerization

of rac-Lactide with Discrete Group 3 Metal Complexes

3 重要收獲及心得

瞭解國際學術界在過渡金屬錯合物鑭系稀土錯合物的合成化學與催化反應方面的前

瞻進展狀態

並為建立合適管道執行未來國際學術合作促進國與國間的人員互動人員的相互

了解而努力

4其他意見

- 33 -

訪問教授訪問報告表

- 34 -

訪問教授訪問報告表

- 35 -

訪問教授訪問報告表

姓名Luis A Marky 教授 University of Nebraska Medical Center

訪問日期民國九十三年十二月四日至十一日

接待機構中央研究院 接待人甘魯生 聯絡電話02 2789 8550

訪問重要成果

訪問經過

Luis Marky 教授早年追隨熱力學

大師 Ken Breslauer之後為紐約

市大學及內布拉斯加州立大學

網羅是一位核酸熱力學專家

其論文發表在 J Am Chem Soc

Biochemistry Nucleic Acids Res

Methods Enzymol等知名國際專業雜誌上Marky 教授早在博士後研究員時即與本

人相識研究領域也相近一直有和他合作共同研究核酸的性質及結構的想法

他也對我們台灣非常友善此次有幸得到化學中心的資助得以邀請 Marky 來台

一方面洽談合作事誼一方面和國內學者及學生會談增進交流宣導有關核酸方

面的研究Marky 教授在短短一週內訪問了四所學術機構也以四個不同的題材

發表了四場學術演講次數相當密集把這次訪問推到最高峰幸好 Marky 教授

並不以為苦所以是一次成功的訪問 演講行程及概要

十二月四日星期六抵台

十二月五日星期日轉赴花蓮

十二月六日星期一

訪問國立東華大學

以ldquoDNA Hairpin Loops Folding Ligand Binding and Hydrationrdquo為題發表專題演講

- 36 -

十二月七日星期二

訪問中央研究院

以rdquoThermodynamics of DNA Triplexes Contributions of Base-Triplet Stacks and Base

Methylationrdquo為題發表專題演講

十二月八日星期三

訪問國立中正大學

以ldquoThermodynamics of DNA Triplexes Containing C-glycosides Basesrdquo為題發表專題

演講

十二月九日星期四

參觀故宮博物院

十二月十日星期五

訪問國立清華大學

以ldquoSherlock Holmesrsquos Adventures with Nucleic Acidsrdquo 為題發表專題演講

十二月十一日離台

重要收獲及心得

Marky 教授在信中稱他對四所訪問的學術機構中央研究院國立東華大學國

立中正大學及國立清華大學的教學及研究都有深刻的印也意外的面試了一位東

華生科所的學生準備收為研究生這是一件互惠之事Marky 教授也非常希望

能和我們合作共同研究

其他意見

(請見 Luis Marky 教授信)

- 37 -

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 3 -

中研院原分所與台大化學系九十三學年度第二學期演講

日期 演講者 講題 0224 (四)

1530

林唯芳教授 (台灣大學材料所)

Organic Solar Cell 有機太陽能電池

0303 (四)

1530

孟心飛教授 (交通大學物理所) Physics and Devices of Conjugated Polymers

0324 (四)

1530

Prof Michel Herman (Universiteacute Libre de Bruxelles Belgium)

Recent Developments in High Resolution Fourier Transform Spectroscopy From Atmospheric Fingerprints to Vibrational Alchemy

0331 (四)

1530

倪衛新主任 (國家奈米元件實驗室) (To be announced)

0407 (四)

1530

Prof John Zhang (張增輝教授) (Department of Chemistry New York University USA)

An Efficient New Approach for Quantum Calculation of Proteins

0414 (四)

1530

游靜惠教授 (清華大學化學系)

Theoretical Investment of Hydrogen Bond Cooperativity and Stable Triplet Biradicals

0421 (四)

1530

白果能博士 (中央研究院生醫所)

High Sensitivity and High Throughput Detection of Viruses

0428 (四)

1530

吳天鳴教授 (交通大學物理所) (To be announced)

0505 (四)

1530

林寬鋸教授 (中興大學化學系)

Navigating Artificial Muscle on ID Supramolecular Systems

0512 (四)

1530

Prof Jack Saltiel (Florida State University USA)

The Photophysics and Photochemistry of Diphenylhexatriene Overcoming Nonlinear Effects in Spectral Resolution

0519 (四)

1530

張玉明博士 (台灣大學凝態科學研究中心)

Electron Accumulation in the Near Surface Region of InN

0526 (四)

1530

吳益群教授 (台灣大學分子細胞生物學研究

所)

Cell Death in C Elegans Gene Discovery and Functional Analysis

0602 (四)

1530

張瑛芝博士 (中央研究院基因體研究中心)

Grafted Polypeptide Assisted Thin Film Fabrication at Planar Solid Surfaces

0609 (四)

1530

Prof John Zhang (張增輝教授) (Department of Chemistry New York University USA)

Computational Study for Protein-ligand Binding and Drug Design

- 4 -

國立中央大學化學系九十三年度第二學期專題演講

時間 演講人 單 位 講 題 地點 邀請人 邀請人分機

0304 林弘萍 成大化學系 中孔洞碳材之合成與

應用 S5-101 高憲明 65932

0311 傅明仁 東吳化學系 Drug Analysis by LC-ES-MS

S5-101 丁望賢 65905

0315 Atsunori Mori

東京工業大學 Transition Metal-Catalyzed

Reactions of Alkynes and Heteroaromatic

Compounds

S5-101 楊吉水 65925

0318 王心心 工研院化工所 光電用染料及其應用 S5-101 楊吉水 65925 0325 楊定亞 東海化學系 Synthesis of

4-hydroxycoumarin derivatives and its

applications

S5-101 侯敦仁 65981

0408 林英智 台大化學系 Organometallic complexes containing

unsaturated three-membered ring

ligand

S5-101 陳銘洲 65943

0415 黃炳照 台科大 過量鋰層狀陰極材料

異常充放電機構 S5-101 諸柏仁 65902

0506 王立義 台大凝態 Development of donoracceptor hybrid materials for organic

solar cell

S5-101 吳春桂 65903

0513 Jack Saltiel

美國佛羅里達

大學 From Photoisomerism

and Rotamerism to Bacteriorhodopsin

S5-101 楊吉水 65925

0520 胡景瀚 彰師大化學系 未定 S5-101 張伯琛 65908 0527 李度 中大化材系 Biomimetic

crystallization from evolution to revolution

S5-101 李光華 65930

- 5 -

國立台灣師範大學化學系九十三學年第二學期專題演講

日期 主講者 題目 邀請人 演講場地

3 月 3 日

瑞士理工大學 Prof Eric Carreira Prof Phillippe Renaud

未定 陳建添教授 F322

3 月 4 日 日本神奈川大學化

學系 竹內敬人教授

Organogermanium Chemistry-A Wonderland of Heteroatom Chemistry

葉名倉教授 F322

3 月 14 日 莊哲仁 博士 Pharmaceutical Process

Development 藥物製程開發

謝明惠教授 E302 教

(1) 台大生工系 廖秀娟教授

未定

王忠茂教授

E302 教

3 月 21 日 (2) 印度國家科學

院院長 Prof Metha (印度)

未定 陳建添教授 E302 教

3 月 28 日 同步輻射中心 許火順博士

蜘蛛絲裡的奈米晶體 洪偉修教授 E302 教

室 台灣科技大學化工

系 黃炳照教授

未定 王忠茂教授

4 月 11 日

Prof Richard Tayler 陳建添教授

E302 教

4 月 18 日 國立交通大學應化

陳月枝教授

未定 林震煌教授 E302 教

中研院原分所 曾文碧教授

未定 何嘉仁教授 4 月 25 日

Prof Vijay Nair 陳建添教授

E302 教

5 月 16 日 東華大學化學系 林志彪教授

Metal containing liquid crystals based on imidazoles

謝明惠教授 E302 教

6 月 6 日 中正大學化學系 洪伯誠教授

未定 陳焜銘教授 E302 教

6 月 13 日 暨南大學應用化學

系 何佳安教授

未定 林震煌教授 E302 教

時間(星期一) 第一場 PM 210 第二場 PM 330

以附註者之演講時間為星期三 900~1030 am 歡迎系上教職員生踴躍參加 附註資料陸續更新中請見本系網頁的系公佈欄的專題演講

- 6 -

成功大學化學系 93 學年下學期 專題演講 題目

日期 NAME 服務單位 職稱 題目 主持人

3 2 PM210

日 杜慶光 Univ of Florida 教授 Proton Transfer in Carbon Anhydrases 孫亦文

3 9 PM210

日 林俊成 中央研究院

化學所 副研究員 Synthesis of Complex Carbohydrate and

Application of Carbohydrate Encapsulated Nanoparticle and Microarray

黃得時

316 PM210

日 PM610

陳甫州 台中榮總醫研部 教授 腦中風動物模式與幹細胞治療研究 陳淑慧 桂椿雄

323 PM210

日 Michael Herman 國科會訪問教授 教授 未定 葉晨聖

330 PM210

日 PM610

周錦生 亞洲基因科技 (股)公司 總經理 Advancement of Molecular Diagnostics 葉晨聖

413 PM210

日 許桂芳 成功大學化學系 助理教授 熱電材料的合成與應用 黃文亮

420 PM210

日 高憲明 中央大學化學系 副教授 Synthesis and Characterization of

Mesoporous Silica SBA-1 葉晨聖

420 PM610

夜 鄭豐裕 成功大學化學系 博士候選人

Synthesis of Magnetic Nanoparticles and its Application in Biomedicine 葉晨聖

511 PM210

日 鄭豐裕 成功大學化學

系 博士候選人Synthesis of Magnetic Nanoparticles and

its Application in Biomedicine 葉晨聖

518 PM210

日 胡景瀚 彰化師範大學

化學系 教授 Theoretical Study on the Catalysis of N-heterocyclic Carbenes 葉晨聖

525 PM210

日 邱惠琪 成功大學化學

系 博士後研究

員 A study of Novel electrodes of the Reduction of

Oxygen and the Determination of CO2 孫亦文

- 7 -

國立高雄師範大學化學系93學年度第二學期演講公告 日 期 時 間 演 講 者 講 題

314 (一) 1430

丁尚武 教授

中山大學化學系

Applications of solid state NMR spectroscopy and imaging in the studies of materials and biological systems(固態核磁共振光譜和影

像在研究材料和生物系統中的應用)

321 (一) 1430

陳振興 教授

高雄大學應用化學系

利用旋轉環狀圓盤電極探討鋰離子二次

電池中鋰錳電極材料容量的衰退與錳離

子溶解之關係

331 (四) 1430

蔡厚仁 教授

中正理工學院應用化學系

從含氟的Ylides合成單氟及雙氟烯類化

合物

47 (四) 1430

傅明仁 教授

東吳大學化學系 Drug Analysis by LC-ES-MS

418 (一) 1430

潘樹德 技術經理

中環科技事業有限公司 環境污染物檢測

428 (四) 1430

何君艷 副理

財團法人中興工程顧問

社環境工程研究中心 環境檢驗化學

516 (一) 1430

徐秀福 教授

淡江大學化學系 從化學家的角度切入液晶材料之設計

530 (一) 1430

許鏵芬 教授

成功大學化學系 Vanadium chemistry relevant to the biological system

- 8 -

國立中興大學化學系演講日程表

地點化學館 1 樓視聽教室 (93 學年度下學期)930201 時 間 演 講 人 演 講 題 目

0223 1030~1200

星期三

Postdoctoral Associate with Professor John F Hartwig at Yale University

李進發博士

1 From Propargylic Dithioacetals to 235-trisubstituted Furans

Toward Molecular Nanowire

2 Synthesis and Applications of Fluoroalkylphosphines 0302

1030~1200 星期三

嘉南藥理科技大學 王來好教授

Developments in Electrochemical Detection for Liquid Chromatography in Medicine and Chemistry

0309 1030~1200

星期三

中興大學 生物醫學研究所

闕斌如教授

A Tumor-Associated Cellular Target for the Anticancer Actions of Capsaicin and Green Tea Catechin

0316 1030~1200

星期三

淡江大學化學系 徐秀福教授

Design and Properties of Liquid Crystals with Board-like and Disk-like Cores

0323 1030~1200

星期三 黃聖言博士

Dynamics of Supercooled Water in Confinement

0330 1030~1200

星期三

國科會自然處 瞿港華副研究員

綠色溶液-離子液體與超臨界流體在金屬分離上的應用 (The Application of Ionic Liquid and Supercritical Fluid on the Separation of Metal Species )

0413 1030~1200

星期三

清華大學化學系 沙晉康教授

Radical and Ionic Cyclizations of α-Indo Ketones

Applications in the Total Synthesis of Natural Products

0420 1030~1200

星期三

淡江大學化學系 王文竹教授

螺旋超分子

0427 1030~1200

星期三

東華大學化學系 劉福成教授

Organohydroborate Chemistry of Early Transition Metal Complexes

0504 1030~1200

星期三

台灣大學化學系 劉如熹教授

具零維核殼結構及一維奈米金屬合成與特性分析研究

0511 1030~1200

星期三

中研院基因體中心 楊安綏研究員

Artificial protein binders as antibody alternatives

0518 1030~1200

星期三

中正大學化學系 于淑君教授

未定

- 9 -

高雄大學應用化學系

93 學年度第(二)學期演講公告 演講地點為理工二演講廳

日期 時間 演 講 者 講 題

940310 (四) 0220

董騰元 教授

(中山大學 化學系) Design and Preparation of Molecular Wire and Motor

940317 (四) 0220

方冠榮 教授

(成功大學 材料科學及

工程學系)

Materials and its processing for advanced energy technologies

940414 (四)

0220

萬海威 董事長

(聯茂電子公司) To be announced

940428 (四)

0220

蔡文亮 教授

(高雄師範大學 化學系)

Molecular Design Synthesis Identification and Physical Properties of Liquid Crystals

940519 (四)

0220

游靜惠 教授

(清華大學 化學系)

Theoretical investment of Hydrogen Bond Cooperativity and Stable Triplet Biradicals

- 10 -

輔仁大學化學系

九十三學年度下學期專題演講時間表

日期 演講者 服務單位 演講題目

317 陳重裕 工研院化工所 化學品應用於光電產業的趨勢

與機會

324 周良奎 華邦電子 The application of CMP(Chemical Mechanical Polish) in IC fabrication

331 鍾崇燊 清華大學化學系 如何培育學生的化學創造力

407 王家麟 中央大學化學系 空氣中氣態有機汙染物的自動

量測與空氣汙染問題

414 陳錦地 中研院化學所 Maleimide Fluorophores and their Copolymers for Red Organic Light-Emitting Diodes

428 何子樂 交大應化所 Synthesis Design by Symmetry Considerations amp Chemical Riddles

505 林震煌 師大化學系 毛細管電泳線上濃縮堆積技術

的發展與應用 時間 星期四下午 140 地點 化學系 CH118 教室

- 11 -

國立中山大學化學系 九十三學年度第二學期專題演講

( 聯絡電話化學系 TEL(07)5252000 轉 3901) 日期時間 主 講 人 題 目 連絡人

940223 1410-1500

杜慶光 博士 美國佛羅里達大學藥學系

Proton Transfer in Carbonic Anhydrases 黃宣容

940302 1410-1500

陳生明 教授 台北科技大學化工系

薄膜修飾電極電催化及生物電化學 黃宣容

940309 1410-1500

蕭志農 博士

神隆股份有限公司 Chromatography in Process Chemistry 張彥誠

940316 1410-1500

張增輝 教授

美國紐約大學 New Method for Quantum Chemical Study of Proteins 陳國美

940323 1410-1500

洪文俊 所長 中山生醫所

Chemistry and Biology 謝建台

940330 1410-1500

徐秀福 教授 淡江化學系

液晶材料設計-從化學家的觀點切入 王志偉

940413 1410-1500

王先知 副所長 工研院化工所

工研院的奈米生醫研發 陳國美

940420 1410-1500

陸天堯 教授 台大化學系

Helical Double Stranded Polymers 周金興

940504 1410-1500

陳仲瑄 研究員 中研院基因體研究中心

Ultrasensitive Detection Technologies and their Biomedical Applications 黃宣容

940511 1410-1500

李漢文 教授 彰師大化學系

The Chemistry of Phosphine-functionalized N-heterocyclic

Carbene

梁蘭昌

940528 1410-1500

蕭世裕 教授 成大化學系

Preparation of Magnetic Nanoparticles as Drug

Carriers

周金興

940601 1410-1500

林達顯 教授 陽明大學生化所

Structural Determination of Apolipoprotein E and β-amyloid Peptide

丁尚武

演講地點理小劇場(理 1001)

- 12 -

國立暨南國際大學 應用化學系 93 學年度第二學期 演講公告

日期 時間 演講者 講題

94225 (五) PM320~500

林敬堯 (暨南大學應化系助理教授)

Tailoring Ethynyl Substituted Porphyrins for Photonic Electrochemical and Nano-Scale Related Researches

9434 (五) PM320~500

王忠茂 (台灣師範大學化學系教授)

Photoelectrochemistry on Zeolites

94311 (五) PM320~500

陳皓君 (中正大學化學暨生物化學系教

授)

Damage of DNA and ProteinsReactions and Analysis

94325 (五) PM320~500

裘性天 (交通大學應用化學系教授)

Growth of Inorganic Solids at the Interphase

9448 (五) PM320~500

周禮君 (中正大學化學暨生物化學系教

授)

Biosensors

94415 (五) PM320~500

葉晨聖 (成功大學化學系教授)

NanomaterialsMetal and Metal Oxide

94422 (五) PM320~500

林萬寅 (台灣大學化學系教授)

Mechanism and Chemiluminescence of Microperoxidase-Catalyzed Reactions

94429 (五) PM320~500

陳暉 (中央大學化材系教授)

均一粒徑高分子微粒子的製

備與其在光子晶體上之應用

9456 (五) PM320~500

黃賢達 (清華大學化學系教授)

Simultaneous Determination of Trace Elements in Urine by GFAAS

94520 (五) PM320~500

楊吉水 (中央大學化學系副教授)

The Photochemistry of N-Aryl-Substituted trans-4-aminostilbenes

94527 (五) PM320~500

蔡世榮 (工研院化工所高分子技術組

正研究員兼組長)

機能性染料之微波合成與應

9463 (五) PM320~500

陳幹男 (淡江大學化學系教授)

Curing Reaction and Functionalization of Agueous-based Polyurethane

地點科技一館 第一演講廳

- 13 -

朝陽科技大學應用化學系

93 學年度第(二)學期演講公告

未特別註明者演講地點為圖書館一樓演講廳

(學期中演講增刪或更新請以即期演講公告為準)

日期 時間 演 講 者 講 題

31

(二) 130 PM

阮若屈 教授

(中央大學化學工程與材料工

程學系)

Quantum Dot Biotechnology

38

(二) 130 PM

韓肇中 博士

(中央研究院原子與分子科學

研究所)

Diamond New Biomedical Material for the Post-genomic Era

329

(二) 130 PM

孫世勝 博士

(中央研究院化學研究所)

Fluorescent Conjugated Polymer-Based Chemosensors

426

(二)

130 PM

(教學大樓

T1-207)

洪豐裕 教授

(中興大學化學系系主任)

Palladium Catalyzed Coupling Reactions Using Cobalt-Containing Bulky Phosphine Ligands

503

(二)

130 PM

(教學大樓

T1-207)

許嘉生 董事長

(穀盛股份有限公司) 未定

531

(二) 130 PM

洪政雄 教授

(彰化師範大學化學系) 未定

67

(二) 130 PM

何佳安 教授

(暨南國際大學應用化學系)

Applications of Liposomes in Biomedicine and Diagnostics

0614

(二) 130 PM

吳立真 教授

(暨南國際大學應用化學系)未定

- 14 -

台大化學系暨化學研究推動中心

93 學年度第(二)學期演講公告

未特別註明者演講地點為浦大邦講堂

(學期中演講增刪或更新請以即期演講公告為準)

日期 演 講 者 講 題

推薦者

221 (一)

330

Prof Jean-Franccedilois CARPENTIER

(Universiteacute de Rennes 1)

Lanthanide Complexes Incorporating Fluorenyl-based Ligands Unusual Bonding

Modes and Unique initiators for syndiospecific styrene polymerization

陳竹亭 教授

222 (二)

400

Dr Hung-Wen Li (Mcgill Chemistry Canada)

Single-Molecule Mechanistic Study of DNA Repair Enzymes

陳竹亭 教授

223 (三)

330

(化四)

Dr Tsang Chi-Wing (Research Associate Univ of

British Columbia) Utilizing P=C bonds in Polymer Science

劉緒宗 教授

224 (四)

200

Prof Yong Hae Kim Distinguished Professor of

KAIST Dept of Chemistry Korea

Dramatic Stereofacial Control in Asymmetric Syntheses

陸天堯 教授

225 (五)

330

黃乃正 (香港中文大學)

The Chemistry of Hydroxytetraphenylenes

陸天堯 教授

31 (二)

200

Prof Seebach Dieter Synthesis and Structures of β-Peptides

陸天堯 教授

33 (四)

200

(會議室)

Dr Sarah Thomas Dr Robert Parker

Dr David Barr (英國皇家學會)

TBA

陸天堯 教授

33 (四)

315

(化四)

Prof Yoshito Takeuchi (Department of Chemistry

Faculty of ScienceKanagawa University)

Organogermanium ChemistrymdashA Wonderland of Heteroatom Chemistry

陳竹亭 教授

- 15 -

日期 演 講 者 講 題

推薦者

33 (四)

415

(化四)

Prof Wasuke Mori (Department of Chemistry

Faculty of ScienceKanagawa University)

Microporous Materials of Metal Carboxylates Gas-occlusion Properties Inclusion Complex

Formation with Organic Polymer and Catalytic Activities for Hydrogenation of Olefins

陳竹亭 教授

345 (五六)

全日

台灣瑞士雙邊有機合成研討會

陸天堯 教授

38 (二)

200

Prof Hung-Wen Liu Learning natures strategies for making unusual sugars

陸天堯 教授

310 (四)

200

Prof Luisa De Cola (Chair of Molecular

Photonic Materials Van t Hoff Institute for Molecular

Sciences (HIMS) Univ of Amsterdam The

Netherlands)

Covalently and NonCovalently Linked Molecular Wires

陸天堯 教授

310 (四)

330

Prof Jeffery I Zink (UCLA)

Nano-Structured Sol-Gel Materials and Functional Molecular Machines

陳昭岑 教授

317 (四)

330

Prof Atsunori Mori (東京工業大學資源化學研

究所副教授)

Transition Metal-Catalyzed Reactions of Alkynes and Heteroaromatic

Compounds

陸天堯 教授

325 (五)

330

Prof G Mehta TBA

陸天堯 教授

4 8 (五)

330

Prof Richard Taylor TBA

陸天堯 教授

415 (五)

200

Prof Oshio (Tsukuba University)

High-Spin molecules toward single-molecule magnets

彭旭明 教授

415 (五)

330

黃迪靖 博士 (國家同步輻射研究中心副

研究員)

Charge and Orbital Ordering in Transition-Metal Oxides

劉如熹 教授

- 16 -

日期 演 講 者 講 題

推薦者

422 (五)

330

林建村 博士 (中研院化學所)

Electro-optic Materialsfrom OLEDs to Photovoltaics

陸天堯 教授

429 (五)

330

Prof Vijay nair TBA

陸天堯 教授

56 (五)

330

林寬鋸 教授 (中興大學化學系)

1D-Semiconducting Metal OxidesSynthesis and Applications

陸天堯 教授

520 (五)

330

許千樹 教授 (交通大學應用化學系)

Nanostructure Enhanced Polymer Light Emitting Diodes

陸天堯 教授

63 (五)

330

孫仲銘 教授 (東華大學化研所)

微波合成抑制新生血管增生先導藥物分子庫

陸天堯 教授

610 (五)

330

蔡明道 博士 (中央研究院基因體中心)

TBA

陸天堯 教授

- 17 -

93 學年第二學期 國立東華大學化學系專題演講

週次 日期 演講者 演講題目 邀請者

3 311 呂宗昕 教授 台灣大學化工系

奈米科技與奈米世界 羅幼旭

4 318 林志彪 教授 東華大學化學系

TBA 化學系

5 325 曹英彥 博士 中油公司

Preparation Characterization and Applications of Zeolite-supported

Subnano Metallic Particles

林志彪

7 48 陳慶年 博士 NIH (USA)

Magnetic Resonance Imaging ndash from a chemistrsquos perspective

錢嘉琳

8 415 Dr Wei Gang

Metal Based Self-Assembly in Supramolecular Chemistry

化學系

9 422 裘性天 教授 交通大學應化系

Growth of Inorganic Solids at the Interphase

林志彪

13 520 王雲銘 教授 高醫應化系

Synthesis and characterization of bio-activated contrast agents for Magnetic Resonance Imaging

劉鎮維

14 527 Prof John Z H ZhangNew York Univ

New Quantum Computational Study of Proteins

張秀華

15 63 林震煌 教授 臺灣師範大學化學系

毛細管電泳線上濃縮技術的發展

與應用 何彥鵬

16 610 李衍彰 教授 彰化師範大學化學系

Synthesis of the natural products as anti-tumor agents

註每週五下午 310pm-500pm

理二講堂

- 18 -

淡江大學化學系 93 學年度第(二)學期演講公告 演講時間每週一下午 210~400演講地點教育館 (Q-409)

日期 時間 演講者 演講題目

221(一) 210~400 傅達勳 危險物及毒化物之認識與運作

307(一) 210~400 Prof Yoshito Takeuchi(Kanagawa University)

Organogermanium Chemistry-A Wonderland of Heteroatom Chemistry

314(一) 210~400 張增輝教授 (美國紐約大學)

321(一) 210~400 施增廉 (淡江大學化學系)

Syntheses of a New Trihydroxy Piperidine Derivative Quercitols and Azepanes for Glycosidase Inhibitors from D-(-)-quinic Acid

328(一) 210~400 陳振漢

(國防醫學院生物晶片

中心)

蛋白質體技術之發展與應用

418(一) 210~400 林唯芳教授 (台大材料系)

分子奈米材料及元件應用

425(一) 210~400 刁維光副教授 (交大應化所)

紫質分子在奈米結構中的光物理與光化學

502(一) 210~400 楊禮明教授 (中國醫藥研究所)

509(一) 210~400 劉廣定教授 (台大化學系)

永續化學與液晶製備

516(一) 210~400 林倫年副研究員 (台大凝態中心)

523(一) 210~400 翁啟惠院士 (中研院)

化學生物與後基因時代之研究

530(一) 210~400 曾惠芳助理教授 (暨大應化系)

毛細管電泳在生化分析上的應用

606(一) 210~400 侯敦仁助理教授 (中央大學化學系)

合環歧化(Ring-Closing Metathesis)之合成

應用

613(一) 210~400 謝明發研究員 (工研院)

The polymeric nano-particles for drug delivery vehicles

- 19 -

中原大學化學系

93 學年度下學期-「學術專題演講」日程表

時間每週三 1500-1630

地點理學館 1樓講堂

主持人葉華光老師 聯絡電話03-2653305 日期 講員 標題 負責

實驗室

223 休息

32 中研院化學研究

所孫世勝博士 Fluorescent Conjugated Polymer-Based Chemosensors

楊千金老師

Lab

39 休息

316 中興大學化學系

林寬鋸教授

未定 葉華光老師

Lab

323 休息 (運動會)

330 南台科技大學

林鴻儒教授 Porous Scaffolds for Bone Tissue Engineering

李世琛老師

Lab

46 休息 (校外實習週)

413 台大醫學院

藥學研究所

李水盛教授

未定 蔡宗燕老師

Lab

420 休息 (期中考)

427 國立陽明大學

周成功教授 How to Struggle with a Novel Gene in the Genome Era

葉瑞銘老師

Lab

54 東吳大學

傅明仁教授 Drug analysis by LC-ES-MS

蔡祐輔老師

Lab

511 休息

518 休息

525 國立成功大學

林弘萍教授

中孔洞氧化矽和碳材料合成與應用 江彰吉老師

Lab

61 華邦電子

周良奎經理

The application of CMP in IC Fabrication

陳玉惠老師

Lab

68 清華大學化學系

劉行讓教授 Reductive Decyanation A Powerful Tool in Organic Synthesis

黃悉雅老師

Lab

615 休息

備註1 請各場次負責的實驗室於演講前做好教具測試 2 自本學期起各場次負責之實驗室僅提供茶水不再準備點心

- 20 -

國立嘉義大學應用化學系 九十三學年度第二學期演講公告

(學期中演講增刪或更新請以即期演講公告為準)

日期 時間 演 講 者 講 題

223

(三) pm1520

~1700 陳勁初主任 (葡萄王生技中心主任)

生技保健食品開發

302

(三) pm1520

~1700 陳泊余教授(高雄醫學大學 醫藥暨應用化學系)

The application of ionic liquids in electrochemistry

316

(三) Pm1520

~1700 陳焜銘教授 (師範大學化學系)

The development of camphor derived chiral ligands for asymmetric reactions

323

(三) pm1520

~1700 何佳安教授 (暨南大學化學系)

Liposome in Diagnostic Microbiology

330

(三) pm1330

~1510 夏克山博士 (國家衛生研究院)

Discovery of New Stem Cell Mobilizers Antagonizing CXCR4 Chemokine Receptor

406

(三) pm1520

~1700 陳幹男教授 (淡江大學化學系)

Hybridization of Aqueous-based Polymers

413

(三) pm1520

~1700 汪炳鈞教授 (清華大學化學系)

Asymmetric Synthesis Using Camphor Derived Chiral Ligands

504

(三) pm1520

~1700 林震煌教授 (師範大學化學系)

毛細管電泳線上濃縮技術的發展

與應用

427

(三) pm1520

~1700 劉英麟教授 (中原大學化工系)

應用二氧化矽奈米粒子於高分子

材料改質

註演講地點在工程館四樓視聽教室

- 21 -

中 央 研 究 院 化 學 研 究 所 INSTITUTE OF CHEMISTRY ACADEMIA SINICA

學 術 演 講 (Chemistry Colloquium)

0106 (四) 1530

唐本忠教授 香港科技大學 (推薦人 陶雨台教授) Light-Emitting Polyenes Polyynes and Polyarylenes

0110 (一) 1530

Prof Rudy Marcus California Institute of Technology USA (推薦人 許昭萍教授) Puzzling phenomena in the fluorescence intermittency of single quantum dots theory and experiment (地點 周大紓講堂)

0114 (五) 1530

Prof Samson A Jenekhe University of Washington USA (推薦人 陶雨台教授) Organic Electronics and Optoelectronics

0125 (二) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Design and Synthesis of Tumor-Targeting Boron Molecules

0126 (三) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Chemistry of Bis-π-allylpalladium for Organic Synthesis

0127 (四) 1530

Prof Teruo Shinmyozu Kyushu University Japan (推薦人 周大新教授) Synthesis Structure and Photochemical Properties of [3n]Cyclophanes (n = 2-6)

0129 (六) 功能性有機化合物的分子建構 小型研討會

0202 (三) 1530

曾志明教授 國立中興大學 (推薦人 陳錦地教授) Addressing grand energy challenges through advanced materials

0203 (四) 1030

江明錫博士 國立清華大學 (Interview Talk) f-ion speciation and d-f interaction toward electrocatalysis LnAn-polyoxotungstates

0218 (五) 1030

Dr Tiow-Gan Ong University of Ottawa Canada The stories of rationally designing a Guanidinate transition metal Complexes and constructing a Stable Carbene with a Novel Topology and Electronic Framework Their Role in Catalysis

0221 (一) 1030

Dr Chi-Wing Tsang University of British Columbia Canada (Interview Talk) Carborane - A New Weakly Coordinating Anion Utilizing P=C bonds in Polymer Chemistry

0225 (五) 1030

Dr Chen-Hsiung Hung National Changhua University of Education Metal Assisted Small Molecule Activations Using Porphyrin Analogues or NNO-Scorpionates as Ligands

0226 (六) 周大紓先生紀念研討會 (Ta-shue Chou Memorial Lecture) (地點 周大紓講堂)

0301 (二) 1030

Dr Wen-Yuan Hsieh Purdue University Synthesis Characterization of monomeric and dimeric Mn complexes

0302 (三) 1400

Prof Peter Chen Swiss Federal Institute of Technology Zurich Switzerland (推薦人 陸天堯教授) Organometallic Chemistry by ESI-MSMS High Valent Oxo Complexes Diolates Metallaoxetanes and Carbenes

0302 (三) 1530

Dr Sarah Thomas Royal Society of Chemistry Publishing Why Where and How (地點 周大紓講堂)

- 22 -

0303 (四) 1430

Prof Pierre Vogel Swiss Federal Institute of Technology Lausanne Switzerland (推薦人 陸天堯教授) Carbohydrate Mimetics Synthesis of C-Disaccharides Imino-C-disaccharides and Analogs and their Biological Properties

0303 (四) 1530

Prof Jay S Siegel University of Zurich Switzerland (推薦人 陸天堯教授) Cheap Fast and Out of Control Rationale for Combinatorial Chemistry

0304-05

第一屆台灣-瑞士雙邊有機合成研討會 Joint Swiss-Taiwanese Meeting ldquoFrontiers in Organic Synthesisrdquo (地點 國立台灣大學 原分所浦大邦演講廳)

0309 (三) Symposium

ldquoPhysical Studies on Photo- or Electron-responsive Materials 0310(四)

1400 陳月枝教授 國立交通大學 (推薦人 陳玉如教授) Title to be annouced

0324(四) 1530

王惠鈞所長 中研院生化所 (推薦人 陳長謙所長) Title to be announced

0407(四) 1530

Prof Richard Taylor University of York (推薦人 陸天堯教授) Title to be announced

0421(四) 1530

Prof Biswanath Das Indian Institute of Chemical Technology India (推薦人 畢爾曼教授) Investigation on Some Fundamental Reactions

地點A108 會議室 Revised on February 21 2005

- 23 -

國立彰化師範大學化學系九十三學年下學期專題演講一覽表

時間 演講者 服務單位 演講題目 地點 推薦人

411

pm 200 林建村

中央研究

院化學所 Electro-optic Materials from OLEDs to photovoltaics

藝薈館

系演講廳 李漢文

418

pm200 梁博煌

中央研究

院生化所 Anti-infectious drug discovery藝薈館

系演講廳 李衍彰

425

pm200 傅傳博

暨南大學

應化系 Development of Magnetic Separation for Analytical Chemistry

藝薈館

系演講廳 林秋薰

59

pm 200 蔡易州

清華大學

化學系 The power of Meal-Metal Multiple bonds

藝薈館

系演講廳 黃瑞賢

516

pm200 孫仲銘

東華大學

化學系 微波抗腫瘤藥物分子庫合成藝薈館

系演講廳 李衍彰

523

pm200 許昭萍

中央研究

院化學所 Electronic Coupling for electron transfer methods and applications

藝薈館

系演講廳 胡景瀚

66

pm200 林敬堯暨南大學

應化系

Tailoring ethynyl substituted porphyrins for photonic electrochemical and nano-related researches

藝薈館

系演講廳 洪政雄

613

pm200 莊琇惠

高雄大學

應化系 Chemical Vapor Deposition of Hafnium Oxonitride as High-k Materials

藝薈館

系演講廳 黃瑞賢

- 24 -

- 25 -

- 26 -

- 27 -

- 28 -

- 29 -

- 30 -

國科會化學推動中心補助學術研討會成果報告表

會議名稱94 年第一次國科會分析化學小組研討會

舉辦日期民國 94 年 2 月 19 日 至 民國 94 年 2 月 19 日

主辦機構國立中醫藥研究所國科會分析化學小組主持人蔡東湖傅明仁

舉辦地點國立中醫藥研究所 聯絡電話 02-2820 1999 ext 8091

出席人數工業界 人學術界(含學生) 110 人 共 110 人

會議重要成果 (如篇幅不足另以A4白紙填寫)

會議經過及議程

0900~0930 報到 0930~0940 主席國科會分析化學小組召集人傅明仁教授 0940~0950 致歡迎詞吳天賞教授 國立中醫藥研究所所長 0950~1040 專題演講食品中 acrylamide 之分析 周薰修博士 藥物食品檢驗局 主持人傅明仁教授 (東吳大學化學系) 1040~1110 茶點時間 1110~1200 專題演講哺乳動物體內 D-乳酸的分析 李仁愛助理教授 台北醫學大學藥學系

主持人蔡東湖教授 (國立中醫藥研究所) 1200~1320 中餐休息 1320~1410 專題演講利用分子轉印技術在人體肝臟細胞中重金屬中毒的飛 行式二次離子質譜儀(TOF-SIMS)離子影像分析研究 麥富德助理教授 中山醫學大學應用化學系

主持人李茂榮教授 (中興大學化學系) 1410~1500 專題演講具奈米結構之鋰電池電極材料研製與電化學析 劉茂煌助理教授 輔大化學系 主持人何國榮教授 (台灣大學化學系) 1500~1530 茶點時間 1530~1630 綜合座談跨領域幹細胞整合計畫

陳甫州教授 台中榮民總醫院 1630- 會議結束

- 31 -

重要收穫及心得

藉由此次會議接觸到來自各方的學術研究同仁也許各自專長的領域不盡相同但

對於分析化學的研究與應用有著彼此相同的努力目標相互的討論及觀摩不僅僅是成果

的分享更進一步帶來跨領域的合作靈感與契機

近來科學的發展已不再只靠一個人或一間實驗室單打獨鬥不同領域的結合發展漸

成顯學資訊與技術的交流也許會產生比預期更巨大的突破以生物科學這一個大的範

疇為例若缺少化學物理與數學的助益恐怕連傳統遺傳學理論都無法發展以古視今

現今各個次領域都擁有其各自的專長就跨領域幹細胞整合計畫而言只包含分生生理

的人才絕對不足分析化學甚至藥學的知識與技術也有其立足之地國科會分析化學小組

研討會就提供了這麼一個交流與合作的園地結合彼此的力量共同思考更遠大的未來 建議

首先先謝謝國科會化學推動中心的支持國科會分析化學小組的努力及國立中醫藥

研究所的配合使此次會議圓滿完成由於報名踴躍就一個一百多人參與的會議來說

此次補助的經費似乎稍嫌不足扣除演講者的講費及與會者的午餐其餘所剩無幾故將

來補助款若能依參與人數的多寡而稍做調整相信主辦機構能夠為與會者提供更好的服務

- 32 -

訪問教授訪問報告表

姓名 Prof Jean-Franccedilois Carpentier

訪問日期民國 94 年 2 月 20 日 至 民國 94 年 2 月 24 日

接待機構 清華大學化學系 接待人 季昀 教授 聯絡電話 (03) 5712956

訪問重要成果 (如篇幅不足另以A4白紙填寫)

1訪問經過

Prof Jean-Franccedilois Carpentier 於 20 日晚間抵達台灣經過一個晚上的短暫

休息星期一早晨赴台大化學系訪問中午與學生共進午餐交換研究心得並瞭解

該校研究狀況星期二赴淡江化學系訪問中午與晚間分別與學生與教員共進午晚

餐交換研究心得並瞭解該校研究近況並談及如何共同申請中法國際合作專案

星期三赴清大化學系訪問中午與該系教員共進午餐交換研究心得並瞭解該校研

究狀況晚間則回返回台北參觀一年一度的台北國際燈會星期四上午安排私人的

自由活動並赴台北市旅遊景點參訪晚間搭乘飛機離台

2演講行程及概要

2 月 21 日台灣大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 22 日淡江大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 23 日清華大學化學系Towards Green Plastics via Stereoselective Polymerization

of rac-Lactide with Discrete Group 3 Metal Complexes

3 重要收獲及心得

瞭解國際學術界在過渡金屬錯合物鑭系稀土錯合物的合成化學與催化反應方面的前

瞻進展狀態

並為建立合適管道執行未來國際學術合作促進國與國間的人員互動人員的相互

了解而努力

4其他意見

- 33 -

訪問教授訪問報告表

- 34 -

訪問教授訪問報告表

- 35 -

訪問教授訪問報告表

姓名Luis A Marky 教授 University of Nebraska Medical Center

訪問日期民國九十三年十二月四日至十一日

接待機構中央研究院 接待人甘魯生 聯絡電話02 2789 8550

訪問重要成果

訪問經過

Luis Marky 教授早年追隨熱力學

大師 Ken Breslauer之後為紐約

市大學及內布拉斯加州立大學

網羅是一位核酸熱力學專家

其論文發表在 J Am Chem Soc

Biochemistry Nucleic Acids Res

Methods Enzymol等知名國際專業雜誌上Marky 教授早在博士後研究員時即與本

人相識研究領域也相近一直有和他合作共同研究核酸的性質及結構的想法

他也對我們台灣非常友善此次有幸得到化學中心的資助得以邀請 Marky 來台

一方面洽談合作事誼一方面和國內學者及學生會談增進交流宣導有關核酸方

面的研究Marky 教授在短短一週內訪問了四所學術機構也以四個不同的題材

發表了四場學術演講次數相當密集把這次訪問推到最高峰幸好 Marky 教授

並不以為苦所以是一次成功的訪問 演講行程及概要

十二月四日星期六抵台

十二月五日星期日轉赴花蓮

十二月六日星期一

訪問國立東華大學

以ldquoDNA Hairpin Loops Folding Ligand Binding and Hydrationrdquo為題發表專題演講

- 36 -

十二月七日星期二

訪問中央研究院

以rdquoThermodynamics of DNA Triplexes Contributions of Base-Triplet Stacks and Base

Methylationrdquo為題發表專題演講

十二月八日星期三

訪問國立中正大學

以ldquoThermodynamics of DNA Triplexes Containing C-glycosides Basesrdquo為題發表專題

演講

十二月九日星期四

參觀故宮博物院

十二月十日星期五

訪問國立清華大學

以ldquoSherlock Holmesrsquos Adventures with Nucleic Acidsrdquo 為題發表專題演講

十二月十一日離台

重要收獲及心得

Marky 教授在信中稱他對四所訪問的學術機構中央研究院國立東華大學國

立中正大學及國立清華大學的教學及研究都有深刻的印也意外的面試了一位東

華生科所的學生準備收為研究生這是一件互惠之事Marky 教授也非常希望

能和我們合作共同研究

其他意見

(請見 Luis Marky 教授信)

- 37 -

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 4 -

國立中央大學化學系九十三年度第二學期專題演講

時間 演講人 單 位 講 題 地點 邀請人 邀請人分機

0304 林弘萍 成大化學系 中孔洞碳材之合成與

應用 S5-101 高憲明 65932

0311 傅明仁 東吳化學系 Drug Analysis by LC-ES-MS

S5-101 丁望賢 65905

0315 Atsunori Mori

東京工業大學 Transition Metal-Catalyzed

Reactions of Alkynes and Heteroaromatic

Compounds

S5-101 楊吉水 65925

0318 王心心 工研院化工所 光電用染料及其應用 S5-101 楊吉水 65925 0325 楊定亞 東海化學系 Synthesis of

4-hydroxycoumarin derivatives and its

applications

S5-101 侯敦仁 65981

0408 林英智 台大化學系 Organometallic complexes containing

unsaturated three-membered ring

ligand

S5-101 陳銘洲 65943

0415 黃炳照 台科大 過量鋰層狀陰極材料

異常充放電機構 S5-101 諸柏仁 65902

0506 王立義 台大凝態 Development of donoracceptor hybrid materials for organic

solar cell

S5-101 吳春桂 65903

0513 Jack Saltiel

美國佛羅里達

大學 From Photoisomerism

and Rotamerism to Bacteriorhodopsin

S5-101 楊吉水 65925

0520 胡景瀚 彰師大化學系 未定 S5-101 張伯琛 65908 0527 李度 中大化材系 Biomimetic

crystallization from evolution to revolution

S5-101 李光華 65930

- 5 -

國立台灣師範大學化學系九十三學年第二學期專題演講

日期 主講者 題目 邀請人 演講場地

3 月 3 日

瑞士理工大學 Prof Eric Carreira Prof Phillippe Renaud

未定 陳建添教授 F322

3 月 4 日 日本神奈川大學化

學系 竹內敬人教授

Organogermanium Chemistry-A Wonderland of Heteroatom Chemistry

葉名倉教授 F322

3 月 14 日 莊哲仁 博士 Pharmaceutical Process

Development 藥物製程開發

謝明惠教授 E302 教

(1) 台大生工系 廖秀娟教授

未定

王忠茂教授

E302 教

3 月 21 日 (2) 印度國家科學

院院長 Prof Metha (印度)

未定 陳建添教授 E302 教

3 月 28 日 同步輻射中心 許火順博士

蜘蛛絲裡的奈米晶體 洪偉修教授 E302 教

室 台灣科技大學化工

系 黃炳照教授

未定 王忠茂教授

4 月 11 日

Prof Richard Tayler 陳建添教授

E302 教

4 月 18 日 國立交通大學應化

陳月枝教授

未定 林震煌教授 E302 教

中研院原分所 曾文碧教授

未定 何嘉仁教授 4 月 25 日

Prof Vijay Nair 陳建添教授

E302 教

5 月 16 日 東華大學化學系 林志彪教授

Metal containing liquid crystals based on imidazoles

謝明惠教授 E302 教

6 月 6 日 中正大學化學系 洪伯誠教授

未定 陳焜銘教授 E302 教

6 月 13 日 暨南大學應用化學

系 何佳安教授

未定 林震煌教授 E302 教

時間(星期一) 第一場 PM 210 第二場 PM 330

以附註者之演講時間為星期三 900~1030 am 歡迎系上教職員生踴躍參加 附註資料陸續更新中請見本系網頁的系公佈欄的專題演講

- 6 -

成功大學化學系 93 學年下學期 專題演講 題目

日期 NAME 服務單位 職稱 題目 主持人

3 2 PM210

日 杜慶光 Univ of Florida 教授 Proton Transfer in Carbon Anhydrases 孫亦文

3 9 PM210

日 林俊成 中央研究院

化學所 副研究員 Synthesis of Complex Carbohydrate and

Application of Carbohydrate Encapsulated Nanoparticle and Microarray

黃得時

316 PM210

日 PM610

陳甫州 台中榮總醫研部 教授 腦中風動物模式與幹細胞治療研究 陳淑慧 桂椿雄

323 PM210

日 Michael Herman 國科會訪問教授 教授 未定 葉晨聖

330 PM210

日 PM610

周錦生 亞洲基因科技 (股)公司 總經理 Advancement of Molecular Diagnostics 葉晨聖

413 PM210

日 許桂芳 成功大學化學系 助理教授 熱電材料的合成與應用 黃文亮

420 PM210

日 高憲明 中央大學化學系 副教授 Synthesis and Characterization of

Mesoporous Silica SBA-1 葉晨聖

420 PM610

夜 鄭豐裕 成功大學化學系 博士候選人

Synthesis of Magnetic Nanoparticles and its Application in Biomedicine 葉晨聖

511 PM210

日 鄭豐裕 成功大學化學

系 博士候選人Synthesis of Magnetic Nanoparticles and

its Application in Biomedicine 葉晨聖

518 PM210

日 胡景瀚 彰化師範大學

化學系 教授 Theoretical Study on the Catalysis of N-heterocyclic Carbenes 葉晨聖

525 PM210

日 邱惠琪 成功大學化學

系 博士後研究

員 A study of Novel electrodes of the Reduction of

Oxygen and the Determination of CO2 孫亦文

- 7 -

國立高雄師範大學化學系93學年度第二學期演講公告 日 期 時 間 演 講 者 講 題

314 (一) 1430

丁尚武 教授

中山大學化學系

Applications of solid state NMR spectroscopy and imaging in the studies of materials and biological systems(固態核磁共振光譜和影

像在研究材料和生物系統中的應用)

321 (一) 1430

陳振興 教授

高雄大學應用化學系

利用旋轉環狀圓盤電極探討鋰離子二次

電池中鋰錳電極材料容量的衰退與錳離

子溶解之關係

331 (四) 1430

蔡厚仁 教授

中正理工學院應用化學系

從含氟的Ylides合成單氟及雙氟烯類化

合物

47 (四) 1430

傅明仁 教授

東吳大學化學系 Drug Analysis by LC-ES-MS

418 (一) 1430

潘樹德 技術經理

中環科技事業有限公司 環境污染物檢測

428 (四) 1430

何君艷 副理

財團法人中興工程顧問

社環境工程研究中心 環境檢驗化學

516 (一) 1430

徐秀福 教授

淡江大學化學系 從化學家的角度切入液晶材料之設計

530 (一) 1430

許鏵芬 教授

成功大學化學系 Vanadium chemistry relevant to the biological system

- 8 -

國立中興大學化學系演講日程表

地點化學館 1 樓視聽教室 (93 學年度下學期)930201 時 間 演 講 人 演 講 題 目

0223 1030~1200

星期三

Postdoctoral Associate with Professor John F Hartwig at Yale University

李進發博士

1 From Propargylic Dithioacetals to 235-trisubstituted Furans

Toward Molecular Nanowire

2 Synthesis and Applications of Fluoroalkylphosphines 0302

1030~1200 星期三

嘉南藥理科技大學 王來好教授

Developments in Electrochemical Detection for Liquid Chromatography in Medicine and Chemistry

0309 1030~1200

星期三

中興大學 生物醫學研究所

闕斌如教授

A Tumor-Associated Cellular Target for the Anticancer Actions of Capsaicin and Green Tea Catechin

0316 1030~1200

星期三

淡江大學化學系 徐秀福教授

Design and Properties of Liquid Crystals with Board-like and Disk-like Cores

0323 1030~1200

星期三 黃聖言博士

Dynamics of Supercooled Water in Confinement

0330 1030~1200

星期三

國科會自然處 瞿港華副研究員

綠色溶液-離子液體與超臨界流體在金屬分離上的應用 (The Application of Ionic Liquid and Supercritical Fluid on the Separation of Metal Species )

0413 1030~1200

星期三

清華大學化學系 沙晉康教授

Radical and Ionic Cyclizations of α-Indo Ketones

Applications in the Total Synthesis of Natural Products

0420 1030~1200

星期三

淡江大學化學系 王文竹教授

螺旋超分子

0427 1030~1200

星期三

東華大學化學系 劉福成教授

Organohydroborate Chemistry of Early Transition Metal Complexes

0504 1030~1200

星期三

台灣大學化學系 劉如熹教授

具零維核殼結構及一維奈米金屬合成與特性分析研究

0511 1030~1200

星期三

中研院基因體中心 楊安綏研究員

Artificial protein binders as antibody alternatives

0518 1030~1200

星期三

中正大學化學系 于淑君教授

未定

- 9 -

高雄大學應用化學系

93 學年度第(二)學期演講公告 演講地點為理工二演講廳

日期 時間 演 講 者 講 題

940310 (四) 0220

董騰元 教授

(中山大學 化學系) Design and Preparation of Molecular Wire and Motor

940317 (四) 0220

方冠榮 教授

(成功大學 材料科學及

工程學系)

Materials and its processing for advanced energy technologies

940414 (四)

0220

萬海威 董事長

(聯茂電子公司) To be announced

940428 (四)

0220

蔡文亮 教授

(高雄師範大學 化學系)

Molecular Design Synthesis Identification and Physical Properties of Liquid Crystals

940519 (四)

0220

游靜惠 教授

(清華大學 化學系)

Theoretical investment of Hydrogen Bond Cooperativity and Stable Triplet Biradicals

- 10 -

輔仁大學化學系

九十三學年度下學期專題演講時間表

日期 演講者 服務單位 演講題目

317 陳重裕 工研院化工所 化學品應用於光電產業的趨勢

與機會

324 周良奎 華邦電子 The application of CMP(Chemical Mechanical Polish) in IC fabrication

331 鍾崇燊 清華大學化學系 如何培育學生的化學創造力

407 王家麟 中央大學化學系 空氣中氣態有機汙染物的自動

量測與空氣汙染問題

414 陳錦地 中研院化學所 Maleimide Fluorophores and their Copolymers for Red Organic Light-Emitting Diodes

428 何子樂 交大應化所 Synthesis Design by Symmetry Considerations amp Chemical Riddles

505 林震煌 師大化學系 毛細管電泳線上濃縮堆積技術

的發展與應用 時間 星期四下午 140 地點 化學系 CH118 教室

- 11 -

國立中山大學化學系 九十三學年度第二學期專題演講

( 聯絡電話化學系 TEL(07)5252000 轉 3901) 日期時間 主 講 人 題 目 連絡人

940223 1410-1500

杜慶光 博士 美國佛羅里達大學藥學系

Proton Transfer in Carbonic Anhydrases 黃宣容

940302 1410-1500

陳生明 教授 台北科技大學化工系

薄膜修飾電極電催化及生物電化學 黃宣容

940309 1410-1500

蕭志農 博士

神隆股份有限公司 Chromatography in Process Chemistry 張彥誠

940316 1410-1500

張增輝 教授

美國紐約大學 New Method for Quantum Chemical Study of Proteins 陳國美

940323 1410-1500

洪文俊 所長 中山生醫所

Chemistry and Biology 謝建台

940330 1410-1500

徐秀福 教授 淡江化學系

液晶材料設計-從化學家的觀點切入 王志偉

940413 1410-1500

王先知 副所長 工研院化工所

工研院的奈米生醫研發 陳國美

940420 1410-1500

陸天堯 教授 台大化學系

Helical Double Stranded Polymers 周金興

940504 1410-1500

陳仲瑄 研究員 中研院基因體研究中心

Ultrasensitive Detection Technologies and their Biomedical Applications 黃宣容

940511 1410-1500

李漢文 教授 彰師大化學系

The Chemistry of Phosphine-functionalized N-heterocyclic

Carbene

梁蘭昌

940528 1410-1500

蕭世裕 教授 成大化學系

Preparation of Magnetic Nanoparticles as Drug

Carriers

周金興

940601 1410-1500

林達顯 教授 陽明大學生化所

Structural Determination of Apolipoprotein E and β-amyloid Peptide

丁尚武

演講地點理小劇場(理 1001)

- 12 -

國立暨南國際大學 應用化學系 93 學年度第二學期 演講公告

日期 時間 演講者 講題

94225 (五) PM320~500

林敬堯 (暨南大學應化系助理教授)

Tailoring Ethynyl Substituted Porphyrins for Photonic Electrochemical and Nano-Scale Related Researches

9434 (五) PM320~500

王忠茂 (台灣師範大學化學系教授)

Photoelectrochemistry on Zeolites

94311 (五) PM320~500

陳皓君 (中正大學化學暨生物化學系教

授)

Damage of DNA and ProteinsReactions and Analysis

94325 (五) PM320~500

裘性天 (交通大學應用化學系教授)

Growth of Inorganic Solids at the Interphase

9448 (五) PM320~500

周禮君 (中正大學化學暨生物化學系教

授)

Biosensors

94415 (五) PM320~500

葉晨聖 (成功大學化學系教授)

NanomaterialsMetal and Metal Oxide

94422 (五) PM320~500

林萬寅 (台灣大學化學系教授)

Mechanism and Chemiluminescence of Microperoxidase-Catalyzed Reactions

94429 (五) PM320~500

陳暉 (中央大學化材系教授)

均一粒徑高分子微粒子的製

備與其在光子晶體上之應用

9456 (五) PM320~500

黃賢達 (清華大學化學系教授)

Simultaneous Determination of Trace Elements in Urine by GFAAS

94520 (五) PM320~500

楊吉水 (中央大學化學系副教授)

The Photochemistry of N-Aryl-Substituted trans-4-aminostilbenes

94527 (五) PM320~500

蔡世榮 (工研院化工所高分子技術組

正研究員兼組長)

機能性染料之微波合成與應

9463 (五) PM320~500

陳幹男 (淡江大學化學系教授)

Curing Reaction and Functionalization of Agueous-based Polyurethane

地點科技一館 第一演講廳

- 13 -

朝陽科技大學應用化學系

93 學年度第(二)學期演講公告

未特別註明者演講地點為圖書館一樓演講廳

(學期中演講增刪或更新請以即期演講公告為準)

日期 時間 演 講 者 講 題

31

(二) 130 PM

阮若屈 教授

(中央大學化學工程與材料工

程學系)

Quantum Dot Biotechnology

38

(二) 130 PM

韓肇中 博士

(中央研究院原子與分子科學

研究所)

Diamond New Biomedical Material for the Post-genomic Era

329

(二) 130 PM

孫世勝 博士

(中央研究院化學研究所)

Fluorescent Conjugated Polymer-Based Chemosensors

426

(二)

130 PM

(教學大樓

T1-207)

洪豐裕 教授

(中興大學化學系系主任)

Palladium Catalyzed Coupling Reactions Using Cobalt-Containing Bulky Phosphine Ligands

503

(二)

130 PM

(教學大樓

T1-207)

許嘉生 董事長

(穀盛股份有限公司) 未定

531

(二) 130 PM

洪政雄 教授

(彰化師範大學化學系) 未定

67

(二) 130 PM

何佳安 教授

(暨南國際大學應用化學系)

Applications of Liposomes in Biomedicine and Diagnostics

0614

(二) 130 PM

吳立真 教授

(暨南國際大學應用化學系)未定

- 14 -

台大化學系暨化學研究推動中心

93 學年度第(二)學期演講公告

未特別註明者演講地點為浦大邦講堂

(學期中演講增刪或更新請以即期演講公告為準)

日期 演 講 者 講 題

推薦者

221 (一)

330

Prof Jean-Franccedilois CARPENTIER

(Universiteacute de Rennes 1)

Lanthanide Complexes Incorporating Fluorenyl-based Ligands Unusual Bonding

Modes and Unique initiators for syndiospecific styrene polymerization

陳竹亭 教授

222 (二)

400

Dr Hung-Wen Li (Mcgill Chemistry Canada)

Single-Molecule Mechanistic Study of DNA Repair Enzymes

陳竹亭 教授

223 (三)

330

(化四)

Dr Tsang Chi-Wing (Research Associate Univ of

British Columbia) Utilizing P=C bonds in Polymer Science

劉緒宗 教授

224 (四)

200

Prof Yong Hae Kim Distinguished Professor of

KAIST Dept of Chemistry Korea

Dramatic Stereofacial Control in Asymmetric Syntheses

陸天堯 教授

225 (五)

330

黃乃正 (香港中文大學)

The Chemistry of Hydroxytetraphenylenes

陸天堯 教授

31 (二)

200

Prof Seebach Dieter Synthesis and Structures of β-Peptides

陸天堯 教授

33 (四)

200

(會議室)

Dr Sarah Thomas Dr Robert Parker

Dr David Barr (英國皇家學會)

TBA

陸天堯 教授

33 (四)

315

(化四)

Prof Yoshito Takeuchi (Department of Chemistry

Faculty of ScienceKanagawa University)

Organogermanium ChemistrymdashA Wonderland of Heteroatom Chemistry

陳竹亭 教授

- 15 -

日期 演 講 者 講 題

推薦者

33 (四)

415

(化四)

Prof Wasuke Mori (Department of Chemistry

Faculty of ScienceKanagawa University)

Microporous Materials of Metal Carboxylates Gas-occlusion Properties Inclusion Complex

Formation with Organic Polymer and Catalytic Activities for Hydrogenation of Olefins

陳竹亭 教授

345 (五六)

全日

台灣瑞士雙邊有機合成研討會

陸天堯 教授

38 (二)

200

Prof Hung-Wen Liu Learning natures strategies for making unusual sugars

陸天堯 教授

310 (四)

200

Prof Luisa De Cola (Chair of Molecular

Photonic Materials Van t Hoff Institute for Molecular

Sciences (HIMS) Univ of Amsterdam The

Netherlands)

Covalently and NonCovalently Linked Molecular Wires

陸天堯 教授

310 (四)

330

Prof Jeffery I Zink (UCLA)

Nano-Structured Sol-Gel Materials and Functional Molecular Machines

陳昭岑 教授

317 (四)

330

Prof Atsunori Mori (東京工業大學資源化學研

究所副教授)

Transition Metal-Catalyzed Reactions of Alkynes and Heteroaromatic

Compounds

陸天堯 教授

325 (五)

330

Prof G Mehta TBA

陸天堯 教授

4 8 (五)

330

Prof Richard Taylor TBA

陸天堯 教授

415 (五)

200

Prof Oshio (Tsukuba University)

High-Spin molecules toward single-molecule magnets

彭旭明 教授

415 (五)

330

黃迪靖 博士 (國家同步輻射研究中心副

研究員)

Charge and Orbital Ordering in Transition-Metal Oxides

劉如熹 教授

- 16 -

日期 演 講 者 講 題

推薦者

422 (五)

330

林建村 博士 (中研院化學所)

Electro-optic Materialsfrom OLEDs to Photovoltaics

陸天堯 教授

429 (五)

330

Prof Vijay nair TBA

陸天堯 教授

56 (五)

330

林寬鋸 教授 (中興大學化學系)

1D-Semiconducting Metal OxidesSynthesis and Applications

陸天堯 教授

520 (五)

330

許千樹 教授 (交通大學應用化學系)

Nanostructure Enhanced Polymer Light Emitting Diodes

陸天堯 教授

63 (五)

330

孫仲銘 教授 (東華大學化研所)

微波合成抑制新生血管增生先導藥物分子庫

陸天堯 教授

610 (五)

330

蔡明道 博士 (中央研究院基因體中心)

TBA

陸天堯 教授

- 17 -

93 學年第二學期 國立東華大學化學系專題演講

週次 日期 演講者 演講題目 邀請者

3 311 呂宗昕 教授 台灣大學化工系

奈米科技與奈米世界 羅幼旭

4 318 林志彪 教授 東華大學化學系

TBA 化學系

5 325 曹英彥 博士 中油公司

Preparation Characterization and Applications of Zeolite-supported

Subnano Metallic Particles

林志彪

7 48 陳慶年 博士 NIH (USA)

Magnetic Resonance Imaging ndash from a chemistrsquos perspective

錢嘉琳

8 415 Dr Wei Gang

Metal Based Self-Assembly in Supramolecular Chemistry

化學系

9 422 裘性天 教授 交通大學應化系

Growth of Inorganic Solids at the Interphase

林志彪

13 520 王雲銘 教授 高醫應化系

Synthesis and characterization of bio-activated contrast agents for Magnetic Resonance Imaging

劉鎮維

14 527 Prof John Z H ZhangNew York Univ

New Quantum Computational Study of Proteins

張秀華

15 63 林震煌 教授 臺灣師範大學化學系

毛細管電泳線上濃縮技術的發展

與應用 何彥鵬

16 610 李衍彰 教授 彰化師範大學化學系

Synthesis of the natural products as anti-tumor agents

註每週五下午 310pm-500pm

理二講堂

- 18 -

淡江大學化學系 93 學年度第(二)學期演講公告 演講時間每週一下午 210~400演講地點教育館 (Q-409)

日期 時間 演講者 演講題目

221(一) 210~400 傅達勳 危險物及毒化物之認識與運作

307(一) 210~400 Prof Yoshito Takeuchi(Kanagawa University)

Organogermanium Chemistry-A Wonderland of Heteroatom Chemistry

314(一) 210~400 張增輝教授 (美國紐約大學)

321(一) 210~400 施增廉 (淡江大學化學系)

Syntheses of a New Trihydroxy Piperidine Derivative Quercitols and Azepanes for Glycosidase Inhibitors from D-(-)-quinic Acid

328(一) 210~400 陳振漢

(國防醫學院生物晶片

中心)

蛋白質體技術之發展與應用

418(一) 210~400 林唯芳教授 (台大材料系)

分子奈米材料及元件應用

425(一) 210~400 刁維光副教授 (交大應化所)

紫質分子在奈米結構中的光物理與光化學

502(一) 210~400 楊禮明教授 (中國醫藥研究所)

509(一) 210~400 劉廣定教授 (台大化學系)

永續化學與液晶製備

516(一) 210~400 林倫年副研究員 (台大凝態中心)

523(一) 210~400 翁啟惠院士 (中研院)

化學生物與後基因時代之研究

530(一) 210~400 曾惠芳助理教授 (暨大應化系)

毛細管電泳在生化分析上的應用

606(一) 210~400 侯敦仁助理教授 (中央大學化學系)

合環歧化(Ring-Closing Metathesis)之合成

應用

613(一) 210~400 謝明發研究員 (工研院)

The polymeric nano-particles for drug delivery vehicles

- 19 -

中原大學化學系

93 學年度下學期-「學術專題演講」日程表

時間每週三 1500-1630

地點理學館 1樓講堂

主持人葉華光老師 聯絡電話03-2653305 日期 講員 標題 負責

實驗室

223 休息

32 中研院化學研究

所孫世勝博士 Fluorescent Conjugated Polymer-Based Chemosensors

楊千金老師

Lab

39 休息

316 中興大學化學系

林寬鋸教授

未定 葉華光老師

Lab

323 休息 (運動會)

330 南台科技大學

林鴻儒教授 Porous Scaffolds for Bone Tissue Engineering

李世琛老師

Lab

46 休息 (校外實習週)

413 台大醫學院

藥學研究所

李水盛教授

未定 蔡宗燕老師

Lab

420 休息 (期中考)

427 國立陽明大學

周成功教授 How to Struggle with a Novel Gene in the Genome Era

葉瑞銘老師

Lab

54 東吳大學

傅明仁教授 Drug analysis by LC-ES-MS

蔡祐輔老師

Lab

511 休息

518 休息

525 國立成功大學

林弘萍教授

中孔洞氧化矽和碳材料合成與應用 江彰吉老師

Lab

61 華邦電子

周良奎經理

The application of CMP in IC Fabrication

陳玉惠老師

Lab

68 清華大學化學系

劉行讓教授 Reductive Decyanation A Powerful Tool in Organic Synthesis

黃悉雅老師

Lab

615 休息

備註1 請各場次負責的實驗室於演講前做好教具測試 2 自本學期起各場次負責之實驗室僅提供茶水不再準備點心

- 20 -

國立嘉義大學應用化學系 九十三學年度第二學期演講公告

(學期中演講增刪或更新請以即期演講公告為準)

日期 時間 演 講 者 講 題

223

(三) pm1520

~1700 陳勁初主任 (葡萄王生技中心主任)

生技保健食品開發

302

(三) pm1520

~1700 陳泊余教授(高雄醫學大學 醫藥暨應用化學系)

The application of ionic liquids in electrochemistry

316

(三) Pm1520

~1700 陳焜銘教授 (師範大學化學系)

The development of camphor derived chiral ligands for asymmetric reactions

323

(三) pm1520

~1700 何佳安教授 (暨南大學化學系)

Liposome in Diagnostic Microbiology

330

(三) pm1330

~1510 夏克山博士 (國家衛生研究院)

Discovery of New Stem Cell Mobilizers Antagonizing CXCR4 Chemokine Receptor

406

(三) pm1520

~1700 陳幹男教授 (淡江大學化學系)

Hybridization of Aqueous-based Polymers

413

(三) pm1520

~1700 汪炳鈞教授 (清華大學化學系)

Asymmetric Synthesis Using Camphor Derived Chiral Ligands

504

(三) pm1520

~1700 林震煌教授 (師範大學化學系)

毛細管電泳線上濃縮技術的發展

與應用

427

(三) pm1520

~1700 劉英麟教授 (中原大學化工系)

應用二氧化矽奈米粒子於高分子

材料改質

註演講地點在工程館四樓視聽教室

- 21 -

中 央 研 究 院 化 學 研 究 所 INSTITUTE OF CHEMISTRY ACADEMIA SINICA

學 術 演 講 (Chemistry Colloquium)

0106 (四) 1530

唐本忠教授 香港科技大學 (推薦人 陶雨台教授) Light-Emitting Polyenes Polyynes and Polyarylenes

0110 (一) 1530

Prof Rudy Marcus California Institute of Technology USA (推薦人 許昭萍教授) Puzzling phenomena in the fluorescence intermittency of single quantum dots theory and experiment (地點 周大紓講堂)

0114 (五) 1530

Prof Samson A Jenekhe University of Washington USA (推薦人 陶雨台教授) Organic Electronics and Optoelectronics

0125 (二) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Design and Synthesis of Tumor-Targeting Boron Molecules

0126 (三) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Chemistry of Bis-π-allylpalladium for Organic Synthesis

0127 (四) 1530

Prof Teruo Shinmyozu Kyushu University Japan (推薦人 周大新教授) Synthesis Structure and Photochemical Properties of [3n]Cyclophanes (n = 2-6)

0129 (六) 功能性有機化合物的分子建構 小型研討會

0202 (三) 1530

曾志明教授 國立中興大學 (推薦人 陳錦地教授) Addressing grand energy challenges through advanced materials

0203 (四) 1030

江明錫博士 國立清華大學 (Interview Talk) f-ion speciation and d-f interaction toward electrocatalysis LnAn-polyoxotungstates

0218 (五) 1030

Dr Tiow-Gan Ong University of Ottawa Canada The stories of rationally designing a Guanidinate transition metal Complexes and constructing a Stable Carbene with a Novel Topology and Electronic Framework Their Role in Catalysis

0221 (一) 1030

Dr Chi-Wing Tsang University of British Columbia Canada (Interview Talk) Carborane - A New Weakly Coordinating Anion Utilizing P=C bonds in Polymer Chemistry

0225 (五) 1030

Dr Chen-Hsiung Hung National Changhua University of Education Metal Assisted Small Molecule Activations Using Porphyrin Analogues or NNO-Scorpionates as Ligands

0226 (六) 周大紓先生紀念研討會 (Ta-shue Chou Memorial Lecture) (地點 周大紓講堂)

0301 (二) 1030

Dr Wen-Yuan Hsieh Purdue University Synthesis Characterization of monomeric and dimeric Mn complexes

0302 (三) 1400

Prof Peter Chen Swiss Federal Institute of Technology Zurich Switzerland (推薦人 陸天堯教授) Organometallic Chemistry by ESI-MSMS High Valent Oxo Complexes Diolates Metallaoxetanes and Carbenes

0302 (三) 1530

Dr Sarah Thomas Royal Society of Chemistry Publishing Why Where and How (地點 周大紓講堂)

- 22 -

0303 (四) 1430

Prof Pierre Vogel Swiss Federal Institute of Technology Lausanne Switzerland (推薦人 陸天堯教授) Carbohydrate Mimetics Synthesis of C-Disaccharides Imino-C-disaccharides and Analogs and their Biological Properties

0303 (四) 1530

Prof Jay S Siegel University of Zurich Switzerland (推薦人 陸天堯教授) Cheap Fast and Out of Control Rationale for Combinatorial Chemistry

0304-05

第一屆台灣-瑞士雙邊有機合成研討會 Joint Swiss-Taiwanese Meeting ldquoFrontiers in Organic Synthesisrdquo (地點 國立台灣大學 原分所浦大邦演講廳)

0309 (三) Symposium

ldquoPhysical Studies on Photo- or Electron-responsive Materials 0310(四)

1400 陳月枝教授 國立交通大學 (推薦人 陳玉如教授) Title to be annouced

0324(四) 1530

王惠鈞所長 中研院生化所 (推薦人 陳長謙所長) Title to be announced

0407(四) 1530

Prof Richard Taylor University of York (推薦人 陸天堯教授) Title to be announced

0421(四) 1530

Prof Biswanath Das Indian Institute of Chemical Technology India (推薦人 畢爾曼教授) Investigation on Some Fundamental Reactions

地點A108 會議室 Revised on February 21 2005

- 23 -

國立彰化師範大學化學系九十三學年下學期專題演講一覽表

時間 演講者 服務單位 演講題目 地點 推薦人

411

pm 200 林建村

中央研究

院化學所 Electro-optic Materials from OLEDs to photovoltaics

藝薈館

系演講廳 李漢文

418

pm200 梁博煌

中央研究

院生化所 Anti-infectious drug discovery藝薈館

系演講廳 李衍彰

425

pm200 傅傳博

暨南大學

應化系 Development of Magnetic Separation for Analytical Chemistry

藝薈館

系演講廳 林秋薰

59

pm 200 蔡易州

清華大學

化學系 The power of Meal-Metal Multiple bonds

藝薈館

系演講廳 黃瑞賢

516

pm200 孫仲銘

東華大學

化學系 微波抗腫瘤藥物分子庫合成藝薈館

系演講廳 李衍彰

523

pm200 許昭萍

中央研究

院化學所 Electronic Coupling for electron transfer methods and applications

藝薈館

系演講廳 胡景瀚

66

pm200 林敬堯暨南大學

應化系

Tailoring ethynyl substituted porphyrins for photonic electrochemical and nano-related researches

藝薈館

系演講廳 洪政雄

613

pm200 莊琇惠

高雄大學

應化系 Chemical Vapor Deposition of Hafnium Oxonitride as High-k Materials

藝薈館

系演講廳 黃瑞賢

- 24 -

- 25 -

- 26 -

- 27 -

- 28 -

- 29 -

- 30 -

國科會化學推動中心補助學術研討會成果報告表

會議名稱94 年第一次國科會分析化學小組研討會

舉辦日期民國 94 年 2 月 19 日 至 民國 94 年 2 月 19 日

主辦機構國立中醫藥研究所國科會分析化學小組主持人蔡東湖傅明仁

舉辦地點國立中醫藥研究所 聯絡電話 02-2820 1999 ext 8091

出席人數工業界 人學術界(含學生) 110 人 共 110 人

會議重要成果 (如篇幅不足另以A4白紙填寫)

會議經過及議程

0900~0930 報到 0930~0940 主席國科會分析化學小組召集人傅明仁教授 0940~0950 致歡迎詞吳天賞教授 國立中醫藥研究所所長 0950~1040 專題演講食品中 acrylamide 之分析 周薰修博士 藥物食品檢驗局 主持人傅明仁教授 (東吳大學化學系) 1040~1110 茶點時間 1110~1200 專題演講哺乳動物體內 D-乳酸的分析 李仁愛助理教授 台北醫學大學藥學系

主持人蔡東湖教授 (國立中醫藥研究所) 1200~1320 中餐休息 1320~1410 專題演講利用分子轉印技術在人體肝臟細胞中重金屬中毒的飛 行式二次離子質譜儀(TOF-SIMS)離子影像分析研究 麥富德助理教授 中山醫學大學應用化學系

主持人李茂榮教授 (中興大學化學系) 1410~1500 專題演講具奈米結構之鋰電池電極材料研製與電化學析 劉茂煌助理教授 輔大化學系 主持人何國榮教授 (台灣大學化學系) 1500~1530 茶點時間 1530~1630 綜合座談跨領域幹細胞整合計畫

陳甫州教授 台中榮民總醫院 1630- 會議結束

- 31 -

重要收穫及心得

藉由此次會議接觸到來自各方的學術研究同仁也許各自專長的領域不盡相同但

對於分析化學的研究與應用有著彼此相同的努力目標相互的討論及觀摩不僅僅是成果

的分享更進一步帶來跨領域的合作靈感與契機

近來科學的發展已不再只靠一個人或一間實驗室單打獨鬥不同領域的結合發展漸

成顯學資訊與技術的交流也許會產生比預期更巨大的突破以生物科學這一個大的範

疇為例若缺少化學物理與數學的助益恐怕連傳統遺傳學理論都無法發展以古視今

現今各個次領域都擁有其各自的專長就跨領域幹細胞整合計畫而言只包含分生生理

的人才絕對不足分析化學甚至藥學的知識與技術也有其立足之地國科會分析化學小組

研討會就提供了這麼一個交流與合作的園地結合彼此的力量共同思考更遠大的未來 建議

首先先謝謝國科會化學推動中心的支持國科會分析化學小組的努力及國立中醫藥

研究所的配合使此次會議圓滿完成由於報名踴躍就一個一百多人參與的會議來說

此次補助的經費似乎稍嫌不足扣除演講者的講費及與會者的午餐其餘所剩無幾故將

來補助款若能依參與人數的多寡而稍做調整相信主辦機構能夠為與會者提供更好的服務

- 32 -

訪問教授訪問報告表

姓名 Prof Jean-Franccedilois Carpentier

訪問日期民國 94 年 2 月 20 日 至 民國 94 年 2 月 24 日

接待機構 清華大學化學系 接待人 季昀 教授 聯絡電話 (03) 5712956

訪問重要成果 (如篇幅不足另以A4白紙填寫)

1訪問經過

Prof Jean-Franccedilois Carpentier 於 20 日晚間抵達台灣經過一個晚上的短暫

休息星期一早晨赴台大化學系訪問中午與學生共進午餐交換研究心得並瞭解

該校研究狀況星期二赴淡江化學系訪問中午與晚間分別與學生與教員共進午晚

餐交換研究心得並瞭解該校研究近況並談及如何共同申請中法國際合作專案

星期三赴清大化學系訪問中午與該系教員共進午餐交換研究心得並瞭解該校研

究狀況晚間則回返回台北參觀一年一度的台北國際燈會星期四上午安排私人的

自由活動並赴台北市旅遊景點參訪晚間搭乘飛機離台

2演講行程及概要

2 月 21 日台灣大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 22 日淡江大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 23 日清華大學化學系Towards Green Plastics via Stereoselective Polymerization

of rac-Lactide with Discrete Group 3 Metal Complexes

3 重要收獲及心得

瞭解國際學術界在過渡金屬錯合物鑭系稀土錯合物的合成化學與催化反應方面的前

瞻進展狀態

並為建立合適管道執行未來國際學術合作促進國與國間的人員互動人員的相互

了解而努力

4其他意見

- 33 -

訪問教授訪問報告表

- 34 -

訪問教授訪問報告表

- 35 -

訪問教授訪問報告表

姓名Luis A Marky 教授 University of Nebraska Medical Center

訪問日期民國九十三年十二月四日至十一日

接待機構中央研究院 接待人甘魯生 聯絡電話02 2789 8550

訪問重要成果

訪問經過

Luis Marky 教授早年追隨熱力學

大師 Ken Breslauer之後為紐約

市大學及內布拉斯加州立大學

網羅是一位核酸熱力學專家

其論文發表在 J Am Chem Soc

Biochemistry Nucleic Acids Res

Methods Enzymol等知名國際專業雜誌上Marky 教授早在博士後研究員時即與本

人相識研究領域也相近一直有和他合作共同研究核酸的性質及結構的想法

他也對我們台灣非常友善此次有幸得到化學中心的資助得以邀請 Marky 來台

一方面洽談合作事誼一方面和國內學者及學生會談增進交流宣導有關核酸方

面的研究Marky 教授在短短一週內訪問了四所學術機構也以四個不同的題材

發表了四場學術演講次數相當密集把這次訪問推到最高峰幸好 Marky 教授

並不以為苦所以是一次成功的訪問 演講行程及概要

十二月四日星期六抵台

十二月五日星期日轉赴花蓮

十二月六日星期一

訪問國立東華大學

以ldquoDNA Hairpin Loops Folding Ligand Binding and Hydrationrdquo為題發表專題演講

- 36 -

十二月七日星期二

訪問中央研究院

以rdquoThermodynamics of DNA Triplexes Contributions of Base-Triplet Stacks and Base

Methylationrdquo為題發表專題演講

十二月八日星期三

訪問國立中正大學

以ldquoThermodynamics of DNA Triplexes Containing C-glycosides Basesrdquo為題發表專題

演講

十二月九日星期四

參觀故宮博物院

十二月十日星期五

訪問國立清華大學

以ldquoSherlock Holmesrsquos Adventures with Nucleic Acidsrdquo 為題發表專題演講

十二月十一日離台

重要收獲及心得

Marky 教授在信中稱他對四所訪問的學術機構中央研究院國立東華大學國

立中正大學及國立清華大學的教學及研究都有深刻的印也意外的面試了一位東

華生科所的學生準備收為研究生這是一件互惠之事Marky 教授也非常希望

能和我們合作共同研究

其他意見

(請見 Luis Marky 教授信)

- 37 -

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 5 -

國立台灣師範大學化學系九十三學年第二學期專題演講

日期 主講者 題目 邀請人 演講場地

3 月 3 日

瑞士理工大學 Prof Eric Carreira Prof Phillippe Renaud

未定 陳建添教授 F322

3 月 4 日 日本神奈川大學化

學系 竹內敬人教授

Organogermanium Chemistry-A Wonderland of Heteroatom Chemistry

葉名倉教授 F322

3 月 14 日 莊哲仁 博士 Pharmaceutical Process

Development 藥物製程開發

謝明惠教授 E302 教

(1) 台大生工系 廖秀娟教授

未定

王忠茂教授

E302 教

3 月 21 日 (2) 印度國家科學

院院長 Prof Metha (印度)

未定 陳建添教授 E302 教

3 月 28 日 同步輻射中心 許火順博士

蜘蛛絲裡的奈米晶體 洪偉修教授 E302 教

室 台灣科技大學化工

系 黃炳照教授

未定 王忠茂教授

4 月 11 日

Prof Richard Tayler 陳建添教授

E302 教

4 月 18 日 國立交通大學應化

陳月枝教授

未定 林震煌教授 E302 教

中研院原分所 曾文碧教授

未定 何嘉仁教授 4 月 25 日

Prof Vijay Nair 陳建添教授

E302 教

5 月 16 日 東華大學化學系 林志彪教授

Metal containing liquid crystals based on imidazoles

謝明惠教授 E302 教

6 月 6 日 中正大學化學系 洪伯誠教授

未定 陳焜銘教授 E302 教

6 月 13 日 暨南大學應用化學

系 何佳安教授

未定 林震煌教授 E302 教

時間(星期一) 第一場 PM 210 第二場 PM 330

以附註者之演講時間為星期三 900~1030 am 歡迎系上教職員生踴躍參加 附註資料陸續更新中請見本系網頁的系公佈欄的專題演講

- 6 -

成功大學化學系 93 學年下學期 專題演講 題目

日期 NAME 服務單位 職稱 題目 主持人

3 2 PM210

日 杜慶光 Univ of Florida 教授 Proton Transfer in Carbon Anhydrases 孫亦文

3 9 PM210

日 林俊成 中央研究院

化學所 副研究員 Synthesis of Complex Carbohydrate and

Application of Carbohydrate Encapsulated Nanoparticle and Microarray

黃得時

316 PM210

日 PM610

陳甫州 台中榮總醫研部 教授 腦中風動物模式與幹細胞治療研究 陳淑慧 桂椿雄

323 PM210

日 Michael Herman 國科會訪問教授 教授 未定 葉晨聖

330 PM210

日 PM610

周錦生 亞洲基因科技 (股)公司 總經理 Advancement of Molecular Diagnostics 葉晨聖

413 PM210

日 許桂芳 成功大學化學系 助理教授 熱電材料的合成與應用 黃文亮

420 PM210

日 高憲明 中央大學化學系 副教授 Synthesis and Characterization of

Mesoporous Silica SBA-1 葉晨聖

420 PM610

夜 鄭豐裕 成功大學化學系 博士候選人

Synthesis of Magnetic Nanoparticles and its Application in Biomedicine 葉晨聖

511 PM210

日 鄭豐裕 成功大學化學

系 博士候選人Synthesis of Magnetic Nanoparticles and

its Application in Biomedicine 葉晨聖

518 PM210

日 胡景瀚 彰化師範大學

化學系 教授 Theoretical Study on the Catalysis of N-heterocyclic Carbenes 葉晨聖

525 PM210

日 邱惠琪 成功大學化學

系 博士後研究

員 A study of Novel electrodes of the Reduction of

Oxygen and the Determination of CO2 孫亦文

- 7 -

國立高雄師範大學化學系93學年度第二學期演講公告 日 期 時 間 演 講 者 講 題

314 (一) 1430

丁尚武 教授

中山大學化學系

Applications of solid state NMR spectroscopy and imaging in the studies of materials and biological systems(固態核磁共振光譜和影

像在研究材料和生物系統中的應用)

321 (一) 1430

陳振興 教授

高雄大學應用化學系

利用旋轉環狀圓盤電極探討鋰離子二次

電池中鋰錳電極材料容量的衰退與錳離

子溶解之關係

331 (四) 1430

蔡厚仁 教授

中正理工學院應用化學系

從含氟的Ylides合成單氟及雙氟烯類化

合物

47 (四) 1430

傅明仁 教授

東吳大學化學系 Drug Analysis by LC-ES-MS

418 (一) 1430

潘樹德 技術經理

中環科技事業有限公司 環境污染物檢測

428 (四) 1430

何君艷 副理

財團法人中興工程顧問

社環境工程研究中心 環境檢驗化學

516 (一) 1430

徐秀福 教授

淡江大學化學系 從化學家的角度切入液晶材料之設計

530 (一) 1430

許鏵芬 教授

成功大學化學系 Vanadium chemistry relevant to the biological system

- 8 -

國立中興大學化學系演講日程表

地點化學館 1 樓視聽教室 (93 學年度下學期)930201 時 間 演 講 人 演 講 題 目

0223 1030~1200

星期三

Postdoctoral Associate with Professor John F Hartwig at Yale University

李進發博士

1 From Propargylic Dithioacetals to 235-trisubstituted Furans

Toward Molecular Nanowire

2 Synthesis and Applications of Fluoroalkylphosphines 0302

1030~1200 星期三

嘉南藥理科技大學 王來好教授

Developments in Electrochemical Detection for Liquid Chromatography in Medicine and Chemistry

0309 1030~1200

星期三

中興大學 生物醫學研究所

闕斌如教授

A Tumor-Associated Cellular Target for the Anticancer Actions of Capsaicin and Green Tea Catechin

0316 1030~1200

星期三

淡江大學化學系 徐秀福教授

Design and Properties of Liquid Crystals with Board-like and Disk-like Cores

0323 1030~1200

星期三 黃聖言博士

Dynamics of Supercooled Water in Confinement

0330 1030~1200

星期三

國科會自然處 瞿港華副研究員

綠色溶液-離子液體與超臨界流體在金屬分離上的應用 (The Application of Ionic Liquid and Supercritical Fluid on the Separation of Metal Species )

0413 1030~1200

星期三

清華大學化學系 沙晉康教授

Radical and Ionic Cyclizations of α-Indo Ketones

Applications in the Total Synthesis of Natural Products

0420 1030~1200

星期三

淡江大學化學系 王文竹教授

螺旋超分子

0427 1030~1200

星期三

東華大學化學系 劉福成教授

Organohydroborate Chemistry of Early Transition Metal Complexes

0504 1030~1200

星期三

台灣大學化學系 劉如熹教授

具零維核殼結構及一維奈米金屬合成與特性分析研究

0511 1030~1200

星期三

中研院基因體中心 楊安綏研究員

Artificial protein binders as antibody alternatives

0518 1030~1200

星期三

中正大學化學系 于淑君教授

未定

- 9 -

高雄大學應用化學系

93 學年度第(二)學期演講公告 演講地點為理工二演講廳

日期 時間 演 講 者 講 題

940310 (四) 0220

董騰元 教授

(中山大學 化學系) Design and Preparation of Molecular Wire and Motor

940317 (四) 0220

方冠榮 教授

(成功大學 材料科學及

工程學系)

Materials and its processing for advanced energy technologies

940414 (四)

0220

萬海威 董事長

(聯茂電子公司) To be announced

940428 (四)

0220

蔡文亮 教授

(高雄師範大學 化學系)

Molecular Design Synthesis Identification and Physical Properties of Liquid Crystals

940519 (四)

0220

游靜惠 教授

(清華大學 化學系)

Theoretical investment of Hydrogen Bond Cooperativity and Stable Triplet Biradicals

- 10 -

輔仁大學化學系

九十三學年度下學期專題演講時間表

日期 演講者 服務單位 演講題目

317 陳重裕 工研院化工所 化學品應用於光電產業的趨勢

與機會

324 周良奎 華邦電子 The application of CMP(Chemical Mechanical Polish) in IC fabrication

331 鍾崇燊 清華大學化學系 如何培育學生的化學創造力

407 王家麟 中央大學化學系 空氣中氣態有機汙染物的自動

量測與空氣汙染問題

414 陳錦地 中研院化學所 Maleimide Fluorophores and their Copolymers for Red Organic Light-Emitting Diodes

428 何子樂 交大應化所 Synthesis Design by Symmetry Considerations amp Chemical Riddles

505 林震煌 師大化學系 毛細管電泳線上濃縮堆積技術

的發展與應用 時間 星期四下午 140 地點 化學系 CH118 教室

- 11 -

國立中山大學化學系 九十三學年度第二學期專題演講

( 聯絡電話化學系 TEL(07)5252000 轉 3901) 日期時間 主 講 人 題 目 連絡人

940223 1410-1500

杜慶光 博士 美國佛羅里達大學藥學系

Proton Transfer in Carbonic Anhydrases 黃宣容

940302 1410-1500

陳生明 教授 台北科技大學化工系

薄膜修飾電極電催化及生物電化學 黃宣容

940309 1410-1500

蕭志農 博士

神隆股份有限公司 Chromatography in Process Chemistry 張彥誠

940316 1410-1500

張增輝 教授

美國紐約大學 New Method for Quantum Chemical Study of Proteins 陳國美

940323 1410-1500

洪文俊 所長 中山生醫所

Chemistry and Biology 謝建台

940330 1410-1500

徐秀福 教授 淡江化學系

液晶材料設計-從化學家的觀點切入 王志偉

940413 1410-1500

王先知 副所長 工研院化工所

工研院的奈米生醫研發 陳國美

940420 1410-1500

陸天堯 教授 台大化學系

Helical Double Stranded Polymers 周金興

940504 1410-1500

陳仲瑄 研究員 中研院基因體研究中心

Ultrasensitive Detection Technologies and their Biomedical Applications 黃宣容

940511 1410-1500

李漢文 教授 彰師大化學系

The Chemistry of Phosphine-functionalized N-heterocyclic

Carbene

梁蘭昌

940528 1410-1500

蕭世裕 教授 成大化學系

Preparation of Magnetic Nanoparticles as Drug

Carriers

周金興

940601 1410-1500

林達顯 教授 陽明大學生化所

Structural Determination of Apolipoprotein E and β-amyloid Peptide

丁尚武

演講地點理小劇場(理 1001)

- 12 -

國立暨南國際大學 應用化學系 93 學年度第二學期 演講公告

日期 時間 演講者 講題

94225 (五) PM320~500

林敬堯 (暨南大學應化系助理教授)

Tailoring Ethynyl Substituted Porphyrins for Photonic Electrochemical and Nano-Scale Related Researches

9434 (五) PM320~500

王忠茂 (台灣師範大學化學系教授)

Photoelectrochemistry on Zeolites

94311 (五) PM320~500

陳皓君 (中正大學化學暨生物化學系教

授)

Damage of DNA and ProteinsReactions and Analysis

94325 (五) PM320~500

裘性天 (交通大學應用化學系教授)

Growth of Inorganic Solids at the Interphase

9448 (五) PM320~500

周禮君 (中正大學化學暨生物化學系教

授)

Biosensors

94415 (五) PM320~500

葉晨聖 (成功大學化學系教授)

NanomaterialsMetal and Metal Oxide

94422 (五) PM320~500

林萬寅 (台灣大學化學系教授)

Mechanism and Chemiluminescence of Microperoxidase-Catalyzed Reactions

94429 (五) PM320~500

陳暉 (中央大學化材系教授)

均一粒徑高分子微粒子的製

備與其在光子晶體上之應用

9456 (五) PM320~500

黃賢達 (清華大學化學系教授)

Simultaneous Determination of Trace Elements in Urine by GFAAS

94520 (五) PM320~500

楊吉水 (中央大學化學系副教授)

The Photochemistry of N-Aryl-Substituted trans-4-aminostilbenes

94527 (五) PM320~500

蔡世榮 (工研院化工所高分子技術組

正研究員兼組長)

機能性染料之微波合成與應

9463 (五) PM320~500

陳幹男 (淡江大學化學系教授)

Curing Reaction and Functionalization of Agueous-based Polyurethane

地點科技一館 第一演講廳

- 13 -

朝陽科技大學應用化學系

93 學年度第(二)學期演講公告

未特別註明者演講地點為圖書館一樓演講廳

(學期中演講增刪或更新請以即期演講公告為準)

日期 時間 演 講 者 講 題

31

(二) 130 PM

阮若屈 教授

(中央大學化學工程與材料工

程學系)

Quantum Dot Biotechnology

38

(二) 130 PM

韓肇中 博士

(中央研究院原子與分子科學

研究所)

Diamond New Biomedical Material for the Post-genomic Era

329

(二) 130 PM

孫世勝 博士

(中央研究院化學研究所)

Fluorescent Conjugated Polymer-Based Chemosensors

426

(二)

130 PM

(教學大樓

T1-207)

洪豐裕 教授

(中興大學化學系系主任)

Palladium Catalyzed Coupling Reactions Using Cobalt-Containing Bulky Phosphine Ligands

503

(二)

130 PM

(教學大樓

T1-207)

許嘉生 董事長

(穀盛股份有限公司) 未定

531

(二) 130 PM

洪政雄 教授

(彰化師範大學化學系) 未定

67

(二) 130 PM

何佳安 教授

(暨南國際大學應用化學系)

Applications of Liposomes in Biomedicine and Diagnostics

0614

(二) 130 PM

吳立真 教授

(暨南國際大學應用化學系)未定

- 14 -

台大化學系暨化學研究推動中心

93 學年度第(二)學期演講公告

未特別註明者演講地點為浦大邦講堂

(學期中演講增刪或更新請以即期演講公告為準)

日期 演 講 者 講 題

推薦者

221 (一)

330

Prof Jean-Franccedilois CARPENTIER

(Universiteacute de Rennes 1)

Lanthanide Complexes Incorporating Fluorenyl-based Ligands Unusual Bonding

Modes and Unique initiators for syndiospecific styrene polymerization

陳竹亭 教授

222 (二)

400

Dr Hung-Wen Li (Mcgill Chemistry Canada)

Single-Molecule Mechanistic Study of DNA Repair Enzymes

陳竹亭 教授

223 (三)

330

(化四)

Dr Tsang Chi-Wing (Research Associate Univ of

British Columbia) Utilizing P=C bonds in Polymer Science

劉緒宗 教授

224 (四)

200

Prof Yong Hae Kim Distinguished Professor of

KAIST Dept of Chemistry Korea

Dramatic Stereofacial Control in Asymmetric Syntheses

陸天堯 教授

225 (五)

330

黃乃正 (香港中文大學)

The Chemistry of Hydroxytetraphenylenes

陸天堯 教授

31 (二)

200

Prof Seebach Dieter Synthesis and Structures of β-Peptides

陸天堯 教授

33 (四)

200

(會議室)

Dr Sarah Thomas Dr Robert Parker

Dr David Barr (英國皇家學會)

TBA

陸天堯 教授

33 (四)

315

(化四)

Prof Yoshito Takeuchi (Department of Chemistry

Faculty of ScienceKanagawa University)

Organogermanium ChemistrymdashA Wonderland of Heteroatom Chemistry

陳竹亭 教授

- 15 -

日期 演 講 者 講 題

推薦者

33 (四)

415

(化四)

Prof Wasuke Mori (Department of Chemistry

Faculty of ScienceKanagawa University)

Microporous Materials of Metal Carboxylates Gas-occlusion Properties Inclusion Complex

Formation with Organic Polymer and Catalytic Activities for Hydrogenation of Olefins

陳竹亭 教授

345 (五六)

全日

台灣瑞士雙邊有機合成研討會

陸天堯 教授

38 (二)

200

Prof Hung-Wen Liu Learning natures strategies for making unusual sugars

陸天堯 教授

310 (四)

200

Prof Luisa De Cola (Chair of Molecular

Photonic Materials Van t Hoff Institute for Molecular

Sciences (HIMS) Univ of Amsterdam The

Netherlands)

Covalently and NonCovalently Linked Molecular Wires

陸天堯 教授

310 (四)

330

Prof Jeffery I Zink (UCLA)

Nano-Structured Sol-Gel Materials and Functional Molecular Machines

陳昭岑 教授

317 (四)

330

Prof Atsunori Mori (東京工業大學資源化學研

究所副教授)

Transition Metal-Catalyzed Reactions of Alkynes and Heteroaromatic

Compounds

陸天堯 教授

325 (五)

330

Prof G Mehta TBA

陸天堯 教授

4 8 (五)

330

Prof Richard Taylor TBA

陸天堯 教授

415 (五)

200

Prof Oshio (Tsukuba University)

High-Spin molecules toward single-molecule magnets

彭旭明 教授

415 (五)

330

黃迪靖 博士 (國家同步輻射研究中心副

研究員)

Charge and Orbital Ordering in Transition-Metal Oxides

劉如熹 教授

- 16 -

日期 演 講 者 講 題

推薦者

422 (五)

330

林建村 博士 (中研院化學所)

Electro-optic Materialsfrom OLEDs to Photovoltaics

陸天堯 教授

429 (五)

330

Prof Vijay nair TBA

陸天堯 教授

56 (五)

330

林寬鋸 教授 (中興大學化學系)

1D-Semiconducting Metal OxidesSynthesis and Applications

陸天堯 教授

520 (五)

330

許千樹 教授 (交通大學應用化學系)

Nanostructure Enhanced Polymer Light Emitting Diodes

陸天堯 教授

63 (五)

330

孫仲銘 教授 (東華大學化研所)

微波合成抑制新生血管增生先導藥物分子庫

陸天堯 教授

610 (五)

330

蔡明道 博士 (中央研究院基因體中心)

TBA

陸天堯 教授

- 17 -

93 學年第二學期 國立東華大學化學系專題演講

週次 日期 演講者 演講題目 邀請者

3 311 呂宗昕 教授 台灣大學化工系

奈米科技與奈米世界 羅幼旭

4 318 林志彪 教授 東華大學化學系

TBA 化學系

5 325 曹英彥 博士 中油公司

Preparation Characterization and Applications of Zeolite-supported

Subnano Metallic Particles

林志彪

7 48 陳慶年 博士 NIH (USA)

Magnetic Resonance Imaging ndash from a chemistrsquos perspective

錢嘉琳

8 415 Dr Wei Gang

Metal Based Self-Assembly in Supramolecular Chemistry

化學系

9 422 裘性天 教授 交通大學應化系

Growth of Inorganic Solids at the Interphase

林志彪

13 520 王雲銘 教授 高醫應化系

Synthesis and characterization of bio-activated contrast agents for Magnetic Resonance Imaging

劉鎮維

14 527 Prof John Z H ZhangNew York Univ

New Quantum Computational Study of Proteins

張秀華

15 63 林震煌 教授 臺灣師範大學化學系

毛細管電泳線上濃縮技術的發展

與應用 何彥鵬

16 610 李衍彰 教授 彰化師範大學化學系

Synthesis of the natural products as anti-tumor agents

註每週五下午 310pm-500pm

理二講堂

- 18 -

淡江大學化學系 93 學年度第(二)學期演講公告 演講時間每週一下午 210~400演講地點教育館 (Q-409)

日期 時間 演講者 演講題目

221(一) 210~400 傅達勳 危險物及毒化物之認識與運作

307(一) 210~400 Prof Yoshito Takeuchi(Kanagawa University)

Organogermanium Chemistry-A Wonderland of Heteroatom Chemistry

314(一) 210~400 張增輝教授 (美國紐約大學)

321(一) 210~400 施增廉 (淡江大學化學系)

Syntheses of a New Trihydroxy Piperidine Derivative Quercitols and Azepanes for Glycosidase Inhibitors from D-(-)-quinic Acid

328(一) 210~400 陳振漢

(國防醫學院生物晶片

中心)

蛋白質體技術之發展與應用

418(一) 210~400 林唯芳教授 (台大材料系)

分子奈米材料及元件應用

425(一) 210~400 刁維光副教授 (交大應化所)

紫質分子在奈米結構中的光物理與光化學

502(一) 210~400 楊禮明教授 (中國醫藥研究所)

509(一) 210~400 劉廣定教授 (台大化學系)

永續化學與液晶製備

516(一) 210~400 林倫年副研究員 (台大凝態中心)

523(一) 210~400 翁啟惠院士 (中研院)

化學生物與後基因時代之研究

530(一) 210~400 曾惠芳助理教授 (暨大應化系)

毛細管電泳在生化分析上的應用

606(一) 210~400 侯敦仁助理教授 (中央大學化學系)

合環歧化(Ring-Closing Metathesis)之合成

應用

613(一) 210~400 謝明發研究員 (工研院)

The polymeric nano-particles for drug delivery vehicles

- 19 -

中原大學化學系

93 學年度下學期-「學術專題演講」日程表

時間每週三 1500-1630

地點理學館 1樓講堂

主持人葉華光老師 聯絡電話03-2653305 日期 講員 標題 負責

實驗室

223 休息

32 中研院化學研究

所孫世勝博士 Fluorescent Conjugated Polymer-Based Chemosensors

楊千金老師

Lab

39 休息

316 中興大學化學系

林寬鋸教授

未定 葉華光老師

Lab

323 休息 (運動會)

330 南台科技大學

林鴻儒教授 Porous Scaffolds for Bone Tissue Engineering

李世琛老師

Lab

46 休息 (校外實習週)

413 台大醫學院

藥學研究所

李水盛教授

未定 蔡宗燕老師

Lab

420 休息 (期中考)

427 國立陽明大學

周成功教授 How to Struggle with a Novel Gene in the Genome Era

葉瑞銘老師

Lab

54 東吳大學

傅明仁教授 Drug analysis by LC-ES-MS

蔡祐輔老師

Lab

511 休息

518 休息

525 國立成功大學

林弘萍教授

中孔洞氧化矽和碳材料合成與應用 江彰吉老師

Lab

61 華邦電子

周良奎經理

The application of CMP in IC Fabrication

陳玉惠老師

Lab

68 清華大學化學系

劉行讓教授 Reductive Decyanation A Powerful Tool in Organic Synthesis

黃悉雅老師

Lab

615 休息

備註1 請各場次負責的實驗室於演講前做好教具測試 2 自本學期起各場次負責之實驗室僅提供茶水不再準備點心

- 20 -

國立嘉義大學應用化學系 九十三學年度第二學期演講公告

(學期中演講增刪或更新請以即期演講公告為準)

日期 時間 演 講 者 講 題

223

(三) pm1520

~1700 陳勁初主任 (葡萄王生技中心主任)

生技保健食品開發

302

(三) pm1520

~1700 陳泊余教授(高雄醫學大學 醫藥暨應用化學系)

The application of ionic liquids in electrochemistry

316

(三) Pm1520

~1700 陳焜銘教授 (師範大學化學系)

The development of camphor derived chiral ligands for asymmetric reactions

323

(三) pm1520

~1700 何佳安教授 (暨南大學化學系)

Liposome in Diagnostic Microbiology

330

(三) pm1330

~1510 夏克山博士 (國家衛生研究院)

Discovery of New Stem Cell Mobilizers Antagonizing CXCR4 Chemokine Receptor

406

(三) pm1520

~1700 陳幹男教授 (淡江大學化學系)

Hybridization of Aqueous-based Polymers

413

(三) pm1520

~1700 汪炳鈞教授 (清華大學化學系)

Asymmetric Synthesis Using Camphor Derived Chiral Ligands

504

(三) pm1520

~1700 林震煌教授 (師範大學化學系)

毛細管電泳線上濃縮技術的發展

與應用

427

(三) pm1520

~1700 劉英麟教授 (中原大學化工系)

應用二氧化矽奈米粒子於高分子

材料改質

註演講地點在工程館四樓視聽教室

- 21 -

中 央 研 究 院 化 學 研 究 所 INSTITUTE OF CHEMISTRY ACADEMIA SINICA

學 術 演 講 (Chemistry Colloquium)

0106 (四) 1530

唐本忠教授 香港科技大學 (推薦人 陶雨台教授) Light-Emitting Polyenes Polyynes and Polyarylenes

0110 (一) 1530

Prof Rudy Marcus California Institute of Technology USA (推薦人 許昭萍教授) Puzzling phenomena in the fluorescence intermittency of single quantum dots theory and experiment (地點 周大紓講堂)

0114 (五) 1530

Prof Samson A Jenekhe University of Washington USA (推薦人 陶雨台教授) Organic Electronics and Optoelectronics

0125 (二) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Design and Synthesis of Tumor-Targeting Boron Molecules

0126 (三) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Chemistry of Bis-π-allylpalladium for Organic Synthesis

0127 (四) 1530

Prof Teruo Shinmyozu Kyushu University Japan (推薦人 周大新教授) Synthesis Structure and Photochemical Properties of [3n]Cyclophanes (n = 2-6)

0129 (六) 功能性有機化合物的分子建構 小型研討會

0202 (三) 1530

曾志明教授 國立中興大學 (推薦人 陳錦地教授) Addressing grand energy challenges through advanced materials

0203 (四) 1030

江明錫博士 國立清華大學 (Interview Talk) f-ion speciation and d-f interaction toward electrocatalysis LnAn-polyoxotungstates

0218 (五) 1030

Dr Tiow-Gan Ong University of Ottawa Canada The stories of rationally designing a Guanidinate transition metal Complexes and constructing a Stable Carbene with a Novel Topology and Electronic Framework Their Role in Catalysis

0221 (一) 1030

Dr Chi-Wing Tsang University of British Columbia Canada (Interview Talk) Carborane - A New Weakly Coordinating Anion Utilizing P=C bonds in Polymer Chemistry

0225 (五) 1030

Dr Chen-Hsiung Hung National Changhua University of Education Metal Assisted Small Molecule Activations Using Porphyrin Analogues or NNO-Scorpionates as Ligands

0226 (六) 周大紓先生紀念研討會 (Ta-shue Chou Memorial Lecture) (地點 周大紓講堂)

0301 (二) 1030

Dr Wen-Yuan Hsieh Purdue University Synthesis Characterization of monomeric and dimeric Mn complexes

0302 (三) 1400

Prof Peter Chen Swiss Federal Institute of Technology Zurich Switzerland (推薦人 陸天堯教授) Organometallic Chemistry by ESI-MSMS High Valent Oxo Complexes Diolates Metallaoxetanes and Carbenes

0302 (三) 1530

Dr Sarah Thomas Royal Society of Chemistry Publishing Why Where and How (地點 周大紓講堂)

- 22 -

0303 (四) 1430

Prof Pierre Vogel Swiss Federal Institute of Technology Lausanne Switzerland (推薦人 陸天堯教授) Carbohydrate Mimetics Synthesis of C-Disaccharides Imino-C-disaccharides and Analogs and their Biological Properties

0303 (四) 1530

Prof Jay S Siegel University of Zurich Switzerland (推薦人 陸天堯教授) Cheap Fast and Out of Control Rationale for Combinatorial Chemistry

0304-05

第一屆台灣-瑞士雙邊有機合成研討會 Joint Swiss-Taiwanese Meeting ldquoFrontiers in Organic Synthesisrdquo (地點 國立台灣大學 原分所浦大邦演講廳)

0309 (三) Symposium

ldquoPhysical Studies on Photo- or Electron-responsive Materials 0310(四)

1400 陳月枝教授 國立交通大學 (推薦人 陳玉如教授) Title to be annouced

0324(四) 1530

王惠鈞所長 中研院生化所 (推薦人 陳長謙所長) Title to be announced

0407(四) 1530

Prof Richard Taylor University of York (推薦人 陸天堯教授) Title to be announced

0421(四) 1530

Prof Biswanath Das Indian Institute of Chemical Technology India (推薦人 畢爾曼教授) Investigation on Some Fundamental Reactions

地點A108 會議室 Revised on February 21 2005

- 23 -

國立彰化師範大學化學系九十三學年下學期專題演講一覽表

時間 演講者 服務單位 演講題目 地點 推薦人

411

pm 200 林建村

中央研究

院化學所 Electro-optic Materials from OLEDs to photovoltaics

藝薈館

系演講廳 李漢文

418

pm200 梁博煌

中央研究

院生化所 Anti-infectious drug discovery藝薈館

系演講廳 李衍彰

425

pm200 傅傳博

暨南大學

應化系 Development of Magnetic Separation for Analytical Chemistry

藝薈館

系演講廳 林秋薰

59

pm 200 蔡易州

清華大學

化學系 The power of Meal-Metal Multiple bonds

藝薈館

系演講廳 黃瑞賢

516

pm200 孫仲銘

東華大學

化學系 微波抗腫瘤藥物分子庫合成藝薈館

系演講廳 李衍彰

523

pm200 許昭萍

中央研究

院化學所 Electronic Coupling for electron transfer methods and applications

藝薈館

系演講廳 胡景瀚

66

pm200 林敬堯暨南大學

應化系

Tailoring ethynyl substituted porphyrins for photonic electrochemical and nano-related researches

藝薈館

系演講廳 洪政雄

613

pm200 莊琇惠

高雄大學

應化系 Chemical Vapor Deposition of Hafnium Oxonitride as High-k Materials

藝薈館

系演講廳 黃瑞賢

- 24 -

- 25 -

- 26 -

- 27 -

- 28 -

- 29 -

- 30 -

國科會化學推動中心補助學術研討會成果報告表

會議名稱94 年第一次國科會分析化學小組研討會

舉辦日期民國 94 年 2 月 19 日 至 民國 94 年 2 月 19 日

主辦機構國立中醫藥研究所國科會分析化學小組主持人蔡東湖傅明仁

舉辦地點國立中醫藥研究所 聯絡電話 02-2820 1999 ext 8091

出席人數工業界 人學術界(含學生) 110 人 共 110 人

會議重要成果 (如篇幅不足另以A4白紙填寫)

會議經過及議程

0900~0930 報到 0930~0940 主席國科會分析化學小組召集人傅明仁教授 0940~0950 致歡迎詞吳天賞教授 國立中醫藥研究所所長 0950~1040 專題演講食品中 acrylamide 之分析 周薰修博士 藥物食品檢驗局 主持人傅明仁教授 (東吳大學化學系) 1040~1110 茶點時間 1110~1200 專題演講哺乳動物體內 D-乳酸的分析 李仁愛助理教授 台北醫學大學藥學系

主持人蔡東湖教授 (國立中醫藥研究所) 1200~1320 中餐休息 1320~1410 專題演講利用分子轉印技術在人體肝臟細胞中重金屬中毒的飛 行式二次離子質譜儀(TOF-SIMS)離子影像分析研究 麥富德助理教授 中山醫學大學應用化學系

主持人李茂榮教授 (中興大學化學系) 1410~1500 專題演講具奈米結構之鋰電池電極材料研製與電化學析 劉茂煌助理教授 輔大化學系 主持人何國榮教授 (台灣大學化學系) 1500~1530 茶點時間 1530~1630 綜合座談跨領域幹細胞整合計畫

陳甫州教授 台中榮民總醫院 1630- 會議結束

- 31 -

重要收穫及心得

藉由此次會議接觸到來自各方的學術研究同仁也許各自專長的領域不盡相同但

對於分析化學的研究與應用有著彼此相同的努力目標相互的討論及觀摩不僅僅是成果

的分享更進一步帶來跨領域的合作靈感與契機

近來科學的發展已不再只靠一個人或一間實驗室單打獨鬥不同領域的結合發展漸

成顯學資訊與技術的交流也許會產生比預期更巨大的突破以生物科學這一個大的範

疇為例若缺少化學物理與數學的助益恐怕連傳統遺傳學理論都無法發展以古視今

現今各個次領域都擁有其各自的專長就跨領域幹細胞整合計畫而言只包含分生生理

的人才絕對不足分析化學甚至藥學的知識與技術也有其立足之地國科會分析化學小組

研討會就提供了這麼一個交流與合作的園地結合彼此的力量共同思考更遠大的未來 建議

首先先謝謝國科會化學推動中心的支持國科會分析化學小組的努力及國立中醫藥

研究所的配合使此次會議圓滿完成由於報名踴躍就一個一百多人參與的會議來說

此次補助的經費似乎稍嫌不足扣除演講者的講費及與會者的午餐其餘所剩無幾故將

來補助款若能依參與人數的多寡而稍做調整相信主辦機構能夠為與會者提供更好的服務

- 32 -

訪問教授訪問報告表

姓名 Prof Jean-Franccedilois Carpentier

訪問日期民國 94 年 2 月 20 日 至 民國 94 年 2 月 24 日

接待機構 清華大學化學系 接待人 季昀 教授 聯絡電話 (03) 5712956

訪問重要成果 (如篇幅不足另以A4白紙填寫)

1訪問經過

Prof Jean-Franccedilois Carpentier 於 20 日晚間抵達台灣經過一個晚上的短暫

休息星期一早晨赴台大化學系訪問中午與學生共進午餐交換研究心得並瞭解

該校研究狀況星期二赴淡江化學系訪問中午與晚間分別與學生與教員共進午晚

餐交換研究心得並瞭解該校研究近況並談及如何共同申請中法國際合作專案

星期三赴清大化學系訪問中午與該系教員共進午餐交換研究心得並瞭解該校研

究狀況晚間則回返回台北參觀一年一度的台北國際燈會星期四上午安排私人的

自由活動並赴台北市旅遊景點參訪晚間搭乘飛機離台

2演講行程及概要

2 月 21 日台灣大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 22 日淡江大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 23 日清華大學化學系Towards Green Plastics via Stereoselective Polymerization

of rac-Lactide with Discrete Group 3 Metal Complexes

3 重要收獲及心得

瞭解國際學術界在過渡金屬錯合物鑭系稀土錯合物的合成化學與催化反應方面的前

瞻進展狀態

並為建立合適管道執行未來國際學術合作促進國與國間的人員互動人員的相互

了解而努力

4其他意見

- 33 -

訪問教授訪問報告表

- 34 -

訪問教授訪問報告表

- 35 -

訪問教授訪問報告表

姓名Luis A Marky 教授 University of Nebraska Medical Center

訪問日期民國九十三年十二月四日至十一日

接待機構中央研究院 接待人甘魯生 聯絡電話02 2789 8550

訪問重要成果

訪問經過

Luis Marky 教授早年追隨熱力學

大師 Ken Breslauer之後為紐約

市大學及內布拉斯加州立大學

網羅是一位核酸熱力學專家

其論文發表在 J Am Chem Soc

Biochemistry Nucleic Acids Res

Methods Enzymol等知名國際專業雜誌上Marky 教授早在博士後研究員時即與本

人相識研究領域也相近一直有和他合作共同研究核酸的性質及結構的想法

他也對我們台灣非常友善此次有幸得到化學中心的資助得以邀請 Marky 來台

一方面洽談合作事誼一方面和國內學者及學生會談增進交流宣導有關核酸方

面的研究Marky 教授在短短一週內訪問了四所學術機構也以四個不同的題材

發表了四場學術演講次數相當密集把這次訪問推到最高峰幸好 Marky 教授

並不以為苦所以是一次成功的訪問 演講行程及概要

十二月四日星期六抵台

十二月五日星期日轉赴花蓮

十二月六日星期一

訪問國立東華大學

以ldquoDNA Hairpin Loops Folding Ligand Binding and Hydrationrdquo為題發表專題演講

- 36 -

十二月七日星期二

訪問中央研究院

以rdquoThermodynamics of DNA Triplexes Contributions of Base-Triplet Stacks and Base

Methylationrdquo為題發表專題演講

十二月八日星期三

訪問國立中正大學

以ldquoThermodynamics of DNA Triplexes Containing C-glycosides Basesrdquo為題發表專題

演講

十二月九日星期四

參觀故宮博物院

十二月十日星期五

訪問國立清華大學

以ldquoSherlock Holmesrsquos Adventures with Nucleic Acidsrdquo 為題發表專題演講

十二月十一日離台

重要收獲及心得

Marky 教授在信中稱他對四所訪問的學術機構中央研究院國立東華大學國

立中正大學及國立清華大學的教學及研究都有深刻的印也意外的面試了一位東

華生科所的學生準備收為研究生這是一件互惠之事Marky 教授也非常希望

能和我們合作共同研究

其他意見

(請見 Luis Marky 教授信)

- 37 -

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 6 -

成功大學化學系 93 學年下學期 專題演講 題目

日期 NAME 服務單位 職稱 題目 主持人

3 2 PM210

日 杜慶光 Univ of Florida 教授 Proton Transfer in Carbon Anhydrases 孫亦文

3 9 PM210

日 林俊成 中央研究院

化學所 副研究員 Synthesis of Complex Carbohydrate and

Application of Carbohydrate Encapsulated Nanoparticle and Microarray

黃得時

316 PM210

日 PM610

陳甫州 台中榮總醫研部 教授 腦中風動物模式與幹細胞治療研究 陳淑慧 桂椿雄

323 PM210

日 Michael Herman 國科會訪問教授 教授 未定 葉晨聖

330 PM210

日 PM610

周錦生 亞洲基因科技 (股)公司 總經理 Advancement of Molecular Diagnostics 葉晨聖

413 PM210

日 許桂芳 成功大學化學系 助理教授 熱電材料的合成與應用 黃文亮

420 PM210

日 高憲明 中央大學化學系 副教授 Synthesis and Characterization of

Mesoporous Silica SBA-1 葉晨聖

420 PM610

夜 鄭豐裕 成功大學化學系 博士候選人

Synthesis of Magnetic Nanoparticles and its Application in Biomedicine 葉晨聖

511 PM210

日 鄭豐裕 成功大學化學

系 博士候選人Synthesis of Magnetic Nanoparticles and

its Application in Biomedicine 葉晨聖

518 PM210

日 胡景瀚 彰化師範大學

化學系 教授 Theoretical Study on the Catalysis of N-heterocyclic Carbenes 葉晨聖

525 PM210

日 邱惠琪 成功大學化學

系 博士後研究

員 A study of Novel electrodes of the Reduction of

Oxygen and the Determination of CO2 孫亦文

- 7 -

國立高雄師範大學化學系93學年度第二學期演講公告 日 期 時 間 演 講 者 講 題

314 (一) 1430

丁尚武 教授

中山大學化學系

Applications of solid state NMR spectroscopy and imaging in the studies of materials and biological systems(固態核磁共振光譜和影

像在研究材料和生物系統中的應用)

321 (一) 1430

陳振興 教授

高雄大學應用化學系

利用旋轉環狀圓盤電極探討鋰離子二次

電池中鋰錳電極材料容量的衰退與錳離

子溶解之關係

331 (四) 1430

蔡厚仁 教授

中正理工學院應用化學系

從含氟的Ylides合成單氟及雙氟烯類化

合物

47 (四) 1430

傅明仁 教授

東吳大學化學系 Drug Analysis by LC-ES-MS

418 (一) 1430

潘樹德 技術經理

中環科技事業有限公司 環境污染物檢測

428 (四) 1430

何君艷 副理

財團法人中興工程顧問

社環境工程研究中心 環境檢驗化學

516 (一) 1430

徐秀福 教授

淡江大學化學系 從化學家的角度切入液晶材料之設計

530 (一) 1430

許鏵芬 教授

成功大學化學系 Vanadium chemistry relevant to the biological system

- 8 -

國立中興大學化學系演講日程表

地點化學館 1 樓視聽教室 (93 學年度下學期)930201 時 間 演 講 人 演 講 題 目

0223 1030~1200

星期三

Postdoctoral Associate with Professor John F Hartwig at Yale University

李進發博士

1 From Propargylic Dithioacetals to 235-trisubstituted Furans

Toward Molecular Nanowire

2 Synthesis and Applications of Fluoroalkylphosphines 0302

1030~1200 星期三

嘉南藥理科技大學 王來好教授

Developments in Electrochemical Detection for Liquid Chromatography in Medicine and Chemistry

0309 1030~1200

星期三

中興大學 生物醫學研究所

闕斌如教授

A Tumor-Associated Cellular Target for the Anticancer Actions of Capsaicin and Green Tea Catechin

0316 1030~1200

星期三

淡江大學化學系 徐秀福教授

Design and Properties of Liquid Crystals with Board-like and Disk-like Cores

0323 1030~1200

星期三 黃聖言博士

Dynamics of Supercooled Water in Confinement

0330 1030~1200

星期三

國科會自然處 瞿港華副研究員

綠色溶液-離子液體與超臨界流體在金屬分離上的應用 (The Application of Ionic Liquid and Supercritical Fluid on the Separation of Metal Species )

0413 1030~1200

星期三

清華大學化學系 沙晉康教授

Radical and Ionic Cyclizations of α-Indo Ketones

Applications in the Total Synthesis of Natural Products

0420 1030~1200

星期三

淡江大學化學系 王文竹教授

螺旋超分子

0427 1030~1200

星期三

東華大學化學系 劉福成教授

Organohydroborate Chemistry of Early Transition Metal Complexes

0504 1030~1200

星期三

台灣大學化學系 劉如熹教授

具零維核殼結構及一維奈米金屬合成與特性分析研究

0511 1030~1200

星期三

中研院基因體中心 楊安綏研究員

Artificial protein binders as antibody alternatives

0518 1030~1200

星期三

中正大學化學系 于淑君教授

未定

- 9 -

高雄大學應用化學系

93 學年度第(二)學期演講公告 演講地點為理工二演講廳

日期 時間 演 講 者 講 題

940310 (四) 0220

董騰元 教授

(中山大學 化學系) Design and Preparation of Molecular Wire and Motor

940317 (四) 0220

方冠榮 教授

(成功大學 材料科學及

工程學系)

Materials and its processing for advanced energy technologies

940414 (四)

0220

萬海威 董事長

(聯茂電子公司) To be announced

940428 (四)

0220

蔡文亮 教授

(高雄師範大學 化學系)

Molecular Design Synthesis Identification and Physical Properties of Liquid Crystals

940519 (四)

0220

游靜惠 教授

(清華大學 化學系)

Theoretical investment of Hydrogen Bond Cooperativity and Stable Triplet Biradicals

- 10 -

輔仁大學化學系

九十三學年度下學期專題演講時間表

日期 演講者 服務單位 演講題目

317 陳重裕 工研院化工所 化學品應用於光電產業的趨勢

與機會

324 周良奎 華邦電子 The application of CMP(Chemical Mechanical Polish) in IC fabrication

331 鍾崇燊 清華大學化學系 如何培育學生的化學創造力

407 王家麟 中央大學化學系 空氣中氣態有機汙染物的自動

量測與空氣汙染問題

414 陳錦地 中研院化學所 Maleimide Fluorophores and their Copolymers for Red Organic Light-Emitting Diodes

428 何子樂 交大應化所 Synthesis Design by Symmetry Considerations amp Chemical Riddles

505 林震煌 師大化學系 毛細管電泳線上濃縮堆積技術

的發展與應用 時間 星期四下午 140 地點 化學系 CH118 教室

- 11 -

國立中山大學化學系 九十三學年度第二學期專題演講

( 聯絡電話化學系 TEL(07)5252000 轉 3901) 日期時間 主 講 人 題 目 連絡人

940223 1410-1500

杜慶光 博士 美國佛羅里達大學藥學系

Proton Transfer in Carbonic Anhydrases 黃宣容

940302 1410-1500

陳生明 教授 台北科技大學化工系

薄膜修飾電極電催化及生物電化學 黃宣容

940309 1410-1500

蕭志農 博士

神隆股份有限公司 Chromatography in Process Chemistry 張彥誠

940316 1410-1500

張增輝 教授

美國紐約大學 New Method for Quantum Chemical Study of Proteins 陳國美

940323 1410-1500

洪文俊 所長 中山生醫所

Chemistry and Biology 謝建台

940330 1410-1500

徐秀福 教授 淡江化學系

液晶材料設計-從化學家的觀點切入 王志偉

940413 1410-1500

王先知 副所長 工研院化工所

工研院的奈米生醫研發 陳國美

940420 1410-1500

陸天堯 教授 台大化學系

Helical Double Stranded Polymers 周金興

940504 1410-1500

陳仲瑄 研究員 中研院基因體研究中心

Ultrasensitive Detection Technologies and their Biomedical Applications 黃宣容

940511 1410-1500

李漢文 教授 彰師大化學系

The Chemistry of Phosphine-functionalized N-heterocyclic

Carbene

梁蘭昌

940528 1410-1500

蕭世裕 教授 成大化學系

Preparation of Magnetic Nanoparticles as Drug

Carriers

周金興

940601 1410-1500

林達顯 教授 陽明大學生化所

Structural Determination of Apolipoprotein E and β-amyloid Peptide

丁尚武

演講地點理小劇場(理 1001)

- 12 -

國立暨南國際大學 應用化學系 93 學年度第二學期 演講公告

日期 時間 演講者 講題

94225 (五) PM320~500

林敬堯 (暨南大學應化系助理教授)

Tailoring Ethynyl Substituted Porphyrins for Photonic Electrochemical and Nano-Scale Related Researches

9434 (五) PM320~500

王忠茂 (台灣師範大學化學系教授)

Photoelectrochemistry on Zeolites

94311 (五) PM320~500

陳皓君 (中正大學化學暨生物化學系教

授)

Damage of DNA and ProteinsReactions and Analysis

94325 (五) PM320~500

裘性天 (交通大學應用化學系教授)

Growth of Inorganic Solids at the Interphase

9448 (五) PM320~500

周禮君 (中正大學化學暨生物化學系教

授)

Biosensors

94415 (五) PM320~500

葉晨聖 (成功大學化學系教授)

NanomaterialsMetal and Metal Oxide

94422 (五) PM320~500

林萬寅 (台灣大學化學系教授)

Mechanism and Chemiluminescence of Microperoxidase-Catalyzed Reactions

94429 (五) PM320~500

陳暉 (中央大學化材系教授)

均一粒徑高分子微粒子的製

備與其在光子晶體上之應用

9456 (五) PM320~500

黃賢達 (清華大學化學系教授)

Simultaneous Determination of Trace Elements in Urine by GFAAS

94520 (五) PM320~500

楊吉水 (中央大學化學系副教授)

The Photochemistry of N-Aryl-Substituted trans-4-aminostilbenes

94527 (五) PM320~500

蔡世榮 (工研院化工所高分子技術組

正研究員兼組長)

機能性染料之微波合成與應

9463 (五) PM320~500

陳幹男 (淡江大學化學系教授)

Curing Reaction and Functionalization of Agueous-based Polyurethane

地點科技一館 第一演講廳

- 13 -

朝陽科技大學應用化學系

93 學年度第(二)學期演講公告

未特別註明者演講地點為圖書館一樓演講廳

(學期中演講增刪或更新請以即期演講公告為準)

日期 時間 演 講 者 講 題

31

(二) 130 PM

阮若屈 教授

(中央大學化學工程與材料工

程學系)

Quantum Dot Biotechnology

38

(二) 130 PM

韓肇中 博士

(中央研究院原子與分子科學

研究所)

Diamond New Biomedical Material for the Post-genomic Era

329

(二) 130 PM

孫世勝 博士

(中央研究院化學研究所)

Fluorescent Conjugated Polymer-Based Chemosensors

426

(二)

130 PM

(教學大樓

T1-207)

洪豐裕 教授

(中興大學化學系系主任)

Palladium Catalyzed Coupling Reactions Using Cobalt-Containing Bulky Phosphine Ligands

503

(二)

130 PM

(教學大樓

T1-207)

許嘉生 董事長

(穀盛股份有限公司) 未定

531

(二) 130 PM

洪政雄 教授

(彰化師範大學化學系) 未定

67

(二) 130 PM

何佳安 教授

(暨南國際大學應用化學系)

Applications of Liposomes in Biomedicine and Diagnostics

0614

(二) 130 PM

吳立真 教授

(暨南國際大學應用化學系)未定

- 14 -

台大化學系暨化學研究推動中心

93 學年度第(二)學期演講公告

未特別註明者演講地點為浦大邦講堂

(學期中演講增刪或更新請以即期演講公告為準)

日期 演 講 者 講 題

推薦者

221 (一)

330

Prof Jean-Franccedilois CARPENTIER

(Universiteacute de Rennes 1)

Lanthanide Complexes Incorporating Fluorenyl-based Ligands Unusual Bonding

Modes and Unique initiators for syndiospecific styrene polymerization

陳竹亭 教授

222 (二)

400

Dr Hung-Wen Li (Mcgill Chemistry Canada)

Single-Molecule Mechanistic Study of DNA Repair Enzymes

陳竹亭 教授

223 (三)

330

(化四)

Dr Tsang Chi-Wing (Research Associate Univ of

British Columbia) Utilizing P=C bonds in Polymer Science

劉緒宗 教授

224 (四)

200

Prof Yong Hae Kim Distinguished Professor of

KAIST Dept of Chemistry Korea

Dramatic Stereofacial Control in Asymmetric Syntheses

陸天堯 教授

225 (五)

330

黃乃正 (香港中文大學)

The Chemistry of Hydroxytetraphenylenes

陸天堯 教授

31 (二)

200

Prof Seebach Dieter Synthesis and Structures of β-Peptides

陸天堯 教授

33 (四)

200

(會議室)

Dr Sarah Thomas Dr Robert Parker

Dr David Barr (英國皇家學會)

TBA

陸天堯 教授

33 (四)

315

(化四)

Prof Yoshito Takeuchi (Department of Chemistry

Faculty of ScienceKanagawa University)

Organogermanium ChemistrymdashA Wonderland of Heteroatom Chemistry

陳竹亭 教授

- 15 -

日期 演 講 者 講 題

推薦者

33 (四)

415

(化四)

Prof Wasuke Mori (Department of Chemistry

Faculty of ScienceKanagawa University)

Microporous Materials of Metal Carboxylates Gas-occlusion Properties Inclusion Complex

Formation with Organic Polymer and Catalytic Activities for Hydrogenation of Olefins

陳竹亭 教授

345 (五六)

全日

台灣瑞士雙邊有機合成研討會

陸天堯 教授

38 (二)

200

Prof Hung-Wen Liu Learning natures strategies for making unusual sugars

陸天堯 教授

310 (四)

200

Prof Luisa De Cola (Chair of Molecular

Photonic Materials Van t Hoff Institute for Molecular

Sciences (HIMS) Univ of Amsterdam The

Netherlands)

Covalently and NonCovalently Linked Molecular Wires

陸天堯 教授

310 (四)

330

Prof Jeffery I Zink (UCLA)

Nano-Structured Sol-Gel Materials and Functional Molecular Machines

陳昭岑 教授

317 (四)

330

Prof Atsunori Mori (東京工業大學資源化學研

究所副教授)

Transition Metal-Catalyzed Reactions of Alkynes and Heteroaromatic

Compounds

陸天堯 教授

325 (五)

330

Prof G Mehta TBA

陸天堯 教授

4 8 (五)

330

Prof Richard Taylor TBA

陸天堯 教授

415 (五)

200

Prof Oshio (Tsukuba University)

High-Spin molecules toward single-molecule magnets

彭旭明 教授

415 (五)

330

黃迪靖 博士 (國家同步輻射研究中心副

研究員)

Charge and Orbital Ordering in Transition-Metal Oxides

劉如熹 教授

- 16 -

日期 演 講 者 講 題

推薦者

422 (五)

330

林建村 博士 (中研院化學所)

Electro-optic Materialsfrom OLEDs to Photovoltaics

陸天堯 教授

429 (五)

330

Prof Vijay nair TBA

陸天堯 教授

56 (五)

330

林寬鋸 教授 (中興大學化學系)

1D-Semiconducting Metal OxidesSynthesis and Applications

陸天堯 教授

520 (五)

330

許千樹 教授 (交通大學應用化學系)

Nanostructure Enhanced Polymer Light Emitting Diodes

陸天堯 教授

63 (五)

330

孫仲銘 教授 (東華大學化研所)

微波合成抑制新生血管增生先導藥物分子庫

陸天堯 教授

610 (五)

330

蔡明道 博士 (中央研究院基因體中心)

TBA

陸天堯 教授

- 17 -

93 學年第二學期 國立東華大學化學系專題演講

週次 日期 演講者 演講題目 邀請者

3 311 呂宗昕 教授 台灣大學化工系

奈米科技與奈米世界 羅幼旭

4 318 林志彪 教授 東華大學化學系

TBA 化學系

5 325 曹英彥 博士 中油公司

Preparation Characterization and Applications of Zeolite-supported

Subnano Metallic Particles

林志彪

7 48 陳慶年 博士 NIH (USA)

Magnetic Resonance Imaging ndash from a chemistrsquos perspective

錢嘉琳

8 415 Dr Wei Gang

Metal Based Self-Assembly in Supramolecular Chemistry

化學系

9 422 裘性天 教授 交通大學應化系

Growth of Inorganic Solids at the Interphase

林志彪

13 520 王雲銘 教授 高醫應化系

Synthesis and characterization of bio-activated contrast agents for Magnetic Resonance Imaging

劉鎮維

14 527 Prof John Z H ZhangNew York Univ

New Quantum Computational Study of Proteins

張秀華

15 63 林震煌 教授 臺灣師範大學化學系

毛細管電泳線上濃縮技術的發展

與應用 何彥鵬

16 610 李衍彰 教授 彰化師範大學化學系

Synthesis of the natural products as anti-tumor agents

註每週五下午 310pm-500pm

理二講堂

- 18 -

淡江大學化學系 93 學年度第(二)學期演講公告 演講時間每週一下午 210~400演講地點教育館 (Q-409)

日期 時間 演講者 演講題目

221(一) 210~400 傅達勳 危險物及毒化物之認識與運作

307(一) 210~400 Prof Yoshito Takeuchi(Kanagawa University)

Organogermanium Chemistry-A Wonderland of Heteroatom Chemistry

314(一) 210~400 張增輝教授 (美國紐約大學)

321(一) 210~400 施增廉 (淡江大學化學系)

Syntheses of a New Trihydroxy Piperidine Derivative Quercitols and Azepanes for Glycosidase Inhibitors from D-(-)-quinic Acid

328(一) 210~400 陳振漢

(國防醫學院生物晶片

中心)

蛋白質體技術之發展與應用

418(一) 210~400 林唯芳教授 (台大材料系)

分子奈米材料及元件應用

425(一) 210~400 刁維光副教授 (交大應化所)

紫質分子在奈米結構中的光物理與光化學

502(一) 210~400 楊禮明教授 (中國醫藥研究所)

509(一) 210~400 劉廣定教授 (台大化學系)

永續化學與液晶製備

516(一) 210~400 林倫年副研究員 (台大凝態中心)

523(一) 210~400 翁啟惠院士 (中研院)

化學生物與後基因時代之研究

530(一) 210~400 曾惠芳助理教授 (暨大應化系)

毛細管電泳在生化分析上的應用

606(一) 210~400 侯敦仁助理教授 (中央大學化學系)

合環歧化(Ring-Closing Metathesis)之合成

應用

613(一) 210~400 謝明發研究員 (工研院)

The polymeric nano-particles for drug delivery vehicles

- 19 -

中原大學化學系

93 學年度下學期-「學術專題演講」日程表

時間每週三 1500-1630

地點理學館 1樓講堂

主持人葉華光老師 聯絡電話03-2653305 日期 講員 標題 負責

實驗室

223 休息

32 中研院化學研究

所孫世勝博士 Fluorescent Conjugated Polymer-Based Chemosensors

楊千金老師

Lab

39 休息

316 中興大學化學系

林寬鋸教授

未定 葉華光老師

Lab

323 休息 (運動會)

330 南台科技大學

林鴻儒教授 Porous Scaffolds for Bone Tissue Engineering

李世琛老師

Lab

46 休息 (校外實習週)

413 台大醫學院

藥學研究所

李水盛教授

未定 蔡宗燕老師

Lab

420 休息 (期中考)

427 國立陽明大學

周成功教授 How to Struggle with a Novel Gene in the Genome Era

葉瑞銘老師

Lab

54 東吳大學

傅明仁教授 Drug analysis by LC-ES-MS

蔡祐輔老師

Lab

511 休息

518 休息

525 國立成功大學

林弘萍教授

中孔洞氧化矽和碳材料合成與應用 江彰吉老師

Lab

61 華邦電子

周良奎經理

The application of CMP in IC Fabrication

陳玉惠老師

Lab

68 清華大學化學系

劉行讓教授 Reductive Decyanation A Powerful Tool in Organic Synthesis

黃悉雅老師

Lab

615 休息

備註1 請各場次負責的實驗室於演講前做好教具測試 2 自本學期起各場次負責之實驗室僅提供茶水不再準備點心

- 20 -

國立嘉義大學應用化學系 九十三學年度第二學期演講公告

(學期中演講增刪或更新請以即期演講公告為準)

日期 時間 演 講 者 講 題

223

(三) pm1520

~1700 陳勁初主任 (葡萄王生技中心主任)

生技保健食品開發

302

(三) pm1520

~1700 陳泊余教授(高雄醫學大學 醫藥暨應用化學系)

The application of ionic liquids in electrochemistry

316

(三) Pm1520

~1700 陳焜銘教授 (師範大學化學系)

The development of camphor derived chiral ligands for asymmetric reactions

323

(三) pm1520

~1700 何佳安教授 (暨南大學化學系)

Liposome in Diagnostic Microbiology

330

(三) pm1330

~1510 夏克山博士 (國家衛生研究院)

Discovery of New Stem Cell Mobilizers Antagonizing CXCR4 Chemokine Receptor

406

(三) pm1520

~1700 陳幹男教授 (淡江大學化學系)

Hybridization of Aqueous-based Polymers

413

(三) pm1520

~1700 汪炳鈞教授 (清華大學化學系)

Asymmetric Synthesis Using Camphor Derived Chiral Ligands

504

(三) pm1520

~1700 林震煌教授 (師範大學化學系)

毛細管電泳線上濃縮技術的發展

與應用

427

(三) pm1520

~1700 劉英麟教授 (中原大學化工系)

應用二氧化矽奈米粒子於高分子

材料改質

註演講地點在工程館四樓視聽教室

- 21 -

中 央 研 究 院 化 學 研 究 所 INSTITUTE OF CHEMISTRY ACADEMIA SINICA

學 術 演 講 (Chemistry Colloquium)

0106 (四) 1530

唐本忠教授 香港科技大學 (推薦人 陶雨台教授) Light-Emitting Polyenes Polyynes and Polyarylenes

0110 (一) 1530

Prof Rudy Marcus California Institute of Technology USA (推薦人 許昭萍教授) Puzzling phenomena in the fluorescence intermittency of single quantum dots theory and experiment (地點 周大紓講堂)

0114 (五) 1530

Prof Samson A Jenekhe University of Washington USA (推薦人 陶雨台教授) Organic Electronics and Optoelectronics

0125 (二) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Design and Synthesis of Tumor-Targeting Boron Molecules

0126 (三) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Chemistry of Bis-π-allylpalladium for Organic Synthesis

0127 (四) 1530

Prof Teruo Shinmyozu Kyushu University Japan (推薦人 周大新教授) Synthesis Structure and Photochemical Properties of [3n]Cyclophanes (n = 2-6)

0129 (六) 功能性有機化合物的分子建構 小型研討會

0202 (三) 1530

曾志明教授 國立中興大學 (推薦人 陳錦地教授) Addressing grand energy challenges through advanced materials

0203 (四) 1030

江明錫博士 國立清華大學 (Interview Talk) f-ion speciation and d-f interaction toward electrocatalysis LnAn-polyoxotungstates

0218 (五) 1030

Dr Tiow-Gan Ong University of Ottawa Canada The stories of rationally designing a Guanidinate transition metal Complexes and constructing a Stable Carbene with a Novel Topology and Electronic Framework Their Role in Catalysis

0221 (一) 1030

Dr Chi-Wing Tsang University of British Columbia Canada (Interview Talk) Carborane - A New Weakly Coordinating Anion Utilizing P=C bonds in Polymer Chemistry

0225 (五) 1030

Dr Chen-Hsiung Hung National Changhua University of Education Metal Assisted Small Molecule Activations Using Porphyrin Analogues or NNO-Scorpionates as Ligands

0226 (六) 周大紓先生紀念研討會 (Ta-shue Chou Memorial Lecture) (地點 周大紓講堂)

0301 (二) 1030

Dr Wen-Yuan Hsieh Purdue University Synthesis Characterization of monomeric and dimeric Mn complexes

0302 (三) 1400

Prof Peter Chen Swiss Federal Institute of Technology Zurich Switzerland (推薦人 陸天堯教授) Organometallic Chemistry by ESI-MSMS High Valent Oxo Complexes Diolates Metallaoxetanes and Carbenes

0302 (三) 1530

Dr Sarah Thomas Royal Society of Chemistry Publishing Why Where and How (地點 周大紓講堂)

- 22 -

0303 (四) 1430

Prof Pierre Vogel Swiss Federal Institute of Technology Lausanne Switzerland (推薦人 陸天堯教授) Carbohydrate Mimetics Synthesis of C-Disaccharides Imino-C-disaccharides and Analogs and their Biological Properties

0303 (四) 1530

Prof Jay S Siegel University of Zurich Switzerland (推薦人 陸天堯教授) Cheap Fast and Out of Control Rationale for Combinatorial Chemistry

0304-05

第一屆台灣-瑞士雙邊有機合成研討會 Joint Swiss-Taiwanese Meeting ldquoFrontiers in Organic Synthesisrdquo (地點 國立台灣大學 原分所浦大邦演講廳)

0309 (三) Symposium

ldquoPhysical Studies on Photo- or Electron-responsive Materials 0310(四)

1400 陳月枝教授 國立交通大學 (推薦人 陳玉如教授) Title to be annouced

0324(四) 1530

王惠鈞所長 中研院生化所 (推薦人 陳長謙所長) Title to be announced

0407(四) 1530

Prof Richard Taylor University of York (推薦人 陸天堯教授) Title to be announced

0421(四) 1530

Prof Biswanath Das Indian Institute of Chemical Technology India (推薦人 畢爾曼教授) Investigation on Some Fundamental Reactions

地點A108 會議室 Revised on February 21 2005

- 23 -

國立彰化師範大學化學系九十三學年下學期專題演講一覽表

時間 演講者 服務單位 演講題目 地點 推薦人

411

pm 200 林建村

中央研究

院化學所 Electro-optic Materials from OLEDs to photovoltaics

藝薈館

系演講廳 李漢文

418

pm200 梁博煌

中央研究

院生化所 Anti-infectious drug discovery藝薈館

系演講廳 李衍彰

425

pm200 傅傳博

暨南大學

應化系 Development of Magnetic Separation for Analytical Chemistry

藝薈館

系演講廳 林秋薰

59

pm 200 蔡易州

清華大學

化學系 The power of Meal-Metal Multiple bonds

藝薈館

系演講廳 黃瑞賢

516

pm200 孫仲銘

東華大學

化學系 微波抗腫瘤藥物分子庫合成藝薈館

系演講廳 李衍彰

523

pm200 許昭萍

中央研究

院化學所 Electronic Coupling for electron transfer methods and applications

藝薈館

系演講廳 胡景瀚

66

pm200 林敬堯暨南大學

應化系

Tailoring ethynyl substituted porphyrins for photonic electrochemical and nano-related researches

藝薈館

系演講廳 洪政雄

613

pm200 莊琇惠

高雄大學

應化系 Chemical Vapor Deposition of Hafnium Oxonitride as High-k Materials

藝薈館

系演講廳 黃瑞賢

- 24 -

- 25 -

- 26 -

- 27 -

- 28 -

- 29 -

- 30 -

國科會化學推動中心補助學術研討會成果報告表

會議名稱94 年第一次國科會分析化學小組研討會

舉辦日期民國 94 年 2 月 19 日 至 民國 94 年 2 月 19 日

主辦機構國立中醫藥研究所國科會分析化學小組主持人蔡東湖傅明仁

舉辦地點國立中醫藥研究所 聯絡電話 02-2820 1999 ext 8091

出席人數工業界 人學術界(含學生) 110 人 共 110 人

會議重要成果 (如篇幅不足另以A4白紙填寫)

會議經過及議程

0900~0930 報到 0930~0940 主席國科會分析化學小組召集人傅明仁教授 0940~0950 致歡迎詞吳天賞教授 國立中醫藥研究所所長 0950~1040 專題演講食品中 acrylamide 之分析 周薰修博士 藥物食品檢驗局 主持人傅明仁教授 (東吳大學化學系) 1040~1110 茶點時間 1110~1200 專題演講哺乳動物體內 D-乳酸的分析 李仁愛助理教授 台北醫學大學藥學系

主持人蔡東湖教授 (國立中醫藥研究所) 1200~1320 中餐休息 1320~1410 專題演講利用分子轉印技術在人體肝臟細胞中重金屬中毒的飛 行式二次離子質譜儀(TOF-SIMS)離子影像分析研究 麥富德助理教授 中山醫學大學應用化學系

主持人李茂榮教授 (中興大學化學系) 1410~1500 專題演講具奈米結構之鋰電池電極材料研製與電化學析 劉茂煌助理教授 輔大化學系 主持人何國榮教授 (台灣大學化學系) 1500~1530 茶點時間 1530~1630 綜合座談跨領域幹細胞整合計畫

陳甫州教授 台中榮民總醫院 1630- 會議結束

- 31 -

重要收穫及心得

藉由此次會議接觸到來自各方的學術研究同仁也許各自專長的領域不盡相同但

對於分析化學的研究與應用有著彼此相同的努力目標相互的討論及觀摩不僅僅是成果

的分享更進一步帶來跨領域的合作靈感與契機

近來科學的發展已不再只靠一個人或一間實驗室單打獨鬥不同領域的結合發展漸

成顯學資訊與技術的交流也許會產生比預期更巨大的突破以生物科學這一個大的範

疇為例若缺少化學物理與數學的助益恐怕連傳統遺傳學理論都無法發展以古視今

現今各個次領域都擁有其各自的專長就跨領域幹細胞整合計畫而言只包含分生生理

的人才絕對不足分析化學甚至藥學的知識與技術也有其立足之地國科會分析化學小組

研討會就提供了這麼一個交流與合作的園地結合彼此的力量共同思考更遠大的未來 建議

首先先謝謝國科會化學推動中心的支持國科會分析化學小組的努力及國立中醫藥

研究所的配合使此次會議圓滿完成由於報名踴躍就一個一百多人參與的會議來說

此次補助的經費似乎稍嫌不足扣除演講者的講費及與會者的午餐其餘所剩無幾故將

來補助款若能依參與人數的多寡而稍做調整相信主辦機構能夠為與會者提供更好的服務

- 32 -

訪問教授訪問報告表

姓名 Prof Jean-Franccedilois Carpentier

訪問日期民國 94 年 2 月 20 日 至 民國 94 年 2 月 24 日

接待機構 清華大學化學系 接待人 季昀 教授 聯絡電話 (03) 5712956

訪問重要成果 (如篇幅不足另以A4白紙填寫)

1訪問經過

Prof Jean-Franccedilois Carpentier 於 20 日晚間抵達台灣經過一個晚上的短暫

休息星期一早晨赴台大化學系訪問中午與學生共進午餐交換研究心得並瞭解

該校研究狀況星期二赴淡江化學系訪問中午與晚間分別與學生與教員共進午晚

餐交換研究心得並瞭解該校研究近況並談及如何共同申請中法國際合作專案

星期三赴清大化學系訪問中午與該系教員共進午餐交換研究心得並瞭解該校研

究狀況晚間則回返回台北參觀一年一度的台北國際燈會星期四上午安排私人的

自由活動並赴台北市旅遊景點參訪晚間搭乘飛機離台

2演講行程及概要

2 月 21 日台灣大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 22 日淡江大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 23 日清華大學化學系Towards Green Plastics via Stereoselective Polymerization

of rac-Lactide with Discrete Group 3 Metal Complexes

3 重要收獲及心得

瞭解國際學術界在過渡金屬錯合物鑭系稀土錯合物的合成化學與催化反應方面的前

瞻進展狀態

並為建立合適管道執行未來國際學術合作促進國與國間的人員互動人員的相互

了解而努力

4其他意見

- 33 -

訪問教授訪問報告表

- 34 -

訪問教授訪問報告表

- 35 -

訪問教授訪問報告表

姓名Luis A Marky 教授 University of Nebraska Medical Center

訪問日期民國九十三年十二月四日至十一日

接待機構中央研究院 接待人甘魯生 聯絡電話02 2789 8550

訪問重要成果

訪問經過

Luis Marky 教授早年追隨熱力學

大師 Ken Breslauer之後為紐約

市大學及內布拉斯加州立大學

網羅是一位核酸熱力學專家

其論文發表在 J Am Chem Soc

Biochemistry Nucleic Acids Res

Methods Enzymol等知名國際專業雜誌上Marky 教授早在博士後研究員時即與本

人相識研究領域也相近一直有和他合作共同研究核酸的性質及結構的想法

他也對我們台灣非常友善此次有幸得到化學中心的資助得以邀請 Marky 來台

一方面洽談合作事誼一方面和國內學者及學生會談增進交流宣導有關核酸方

面的研究Marky 教授在短短一週內訪問了四所學術機構也以四個不同的題材

發表了四場學術演講次數相當密集把這次訪問推到最高峰幸好 Marky 教授

並不以為苦所以是一次成功的訪問 演講行程及概要

十二月四日星期六抵台

十二月五日星期日轉赴花蓮

十二月六日星期一

訪問國立東華大學

以ldquoDNA Hairpin Loops Folding Ligand Binding and Hydrationrdquo為題發表專題演講

- 36 -

十二月七日星期二

訪問中央研究院

以rdquoThermodynamics of DNA Triplexes Contributions of Base-Triplet Stacks and Base

Methylationrdquo為題發表專題演講

十二月八日星期三

訪問國立中正大學

以ldquoThermodynamics of DNA Triplexes Containing C-glycosides Basesrdquo為題發表專題

演講

十二月九日星期四

參觀故宮博物院

十二月十日星期五

訪問國立清華大學

以ldquoSherlock Holmesrsquos Adventures with Nucleic Acidsrdquo 為題發表專題演講

十二月十一日離台

重要收獲及心得

Marky 教授在信中稱他對四所訪問的學術機構中央研究院國立東華大學國

立中正大學及國立清華大學的教學及研究都有深刻的印也意外的面試了一位東

華生科所的學生準備收為研究生這是一件互惠之事Marky 教授也非常希望

能和我們合作共同研究

其他意見

(請見 Luis Marky 教授信)

- 37 -

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 7 -

國立高雄師範大學化學系93學年度第二學期演講公告 日 期 時 間 演 講 者 講 題

314 (一) 1430

丁尚武 教授

中山大學化學系

Applications of solid state NMR spectroscopy and imaging in the studies of materials and biological systems(固態核磁共振光譜和影

像在研究材料和生物系統中的應用)

321 (一) 1430

陳振興 教授

高雄大學應用化學系

利用旋轉環狀圓盤電極探討鋰離子二次

電池中鋰錳電極材料容量的衰退與錳離

子溶解之關係

331 (四) 1430

蔡厚仁 教授

中正理工學院應用化學系

從含氟的Ylides合成單氟及雙氟烯類化

合物

47 (四) 1430

傅明仁 教授

東吳大學化學系 Drug Analysis by LC-ES-MS

418 (一) 1430

潘樹德 技術經理

中環科技事業有限公司 環境污染物檢測

428 (四) 1430

何君艷 副理

財團法人中興工程顧問

社環境工程研究中心 環境檢驗化學

516 (一) 1430

徐秀福 教授

淡江大學化學系 從化學家的角度切入液晶材料之設計

530 (一) 1430

許鏵芬 教授

成功大學化學系 Vanadium chemistry relevant to the biological system

- 8 -

國立中興大學化學系演講日程表

地點化學館 1 樓視聽教室 (93 學年度下學期)930201 時 間 演 講 人 演 講 題 目

0223 1030~1200

星期三

Postdoctoral Associate with Professor John F Hartwig at Yale University

李進發博士

1 From Propargylic Dithioacetals to 235-trisubstituted Furans

Toward Molecular Nanowire

2 Synthesis and Applications of Fluoroalkylphosphines 0302

1030~1200 星期三

嘉南藥理科技大學 王來好教授

Developments in Electrochemical Detection for Liquid Chromatography in Medicine and Chemistry

0309 1030~1200

星期三

中興大學 生物醫學研究所

闕斌如教授

A Tumor-Associated Cellular Target for the Anticancer Actions of Capsaicin and Green Tea Catechin

0316 1030~1200

星期三

淡江大學化學系 徐秀福教授

Design and Properties of Liquid Crystals with Board-like and Disk-like Cores

0323 1030~1200

星期三 黃聖言博士

Dynamics of Supercooled Water in Confinement

0330 1030~1200

星期三

國科會自然處 瞿港華副研究員

綠色溶液-離子液體與超臨界流體在金屬分離上的應用 (The Application of Ionic Liquid and Supercritical Fluid on the Separation of Metal Species )

0413 1030~1200

星期三

清華大學化學系 沙晉康教授

Radical and Ionic Cyclizations of α-Indo Ketones

Applications in the Total Synthesis of Natural Products

0420 1030~1200

星期三

淡江大學化學系 王文竹教授

螺旋超分子

0427 1030~1200

星期三

東華大學化學系 劉福成教授

Organohydroborate Chemistry of Early Transition Metal Complexes

0504 1030~1200

星期三

台灣大學化學系 劉如熹教授

具零維核殼結構及一維奈米金屬合成與特性分析研究

0511 1030~1200

星期三

中研院基因體中心 楊安綏研究員

Artificial protein binders as antibody alternatives

0518 1030~1200

星期三

中正大學化學系 于淑君教授

未定

- 9 -

高雄大學應用化學系

93 學年度第(二)學期演講公告 演講地點為理工二演講廳

日期 時間 演 講 者 講 題

940310 (四) 0220

董騰元 教授

(中山大學 化學系) Design and Preparation of Molecular Wire and Motor

940317 (四) 0220

方冠榮 教授

(成功大學 材料科學及

工程學系)

Materials and its processing for advanced energy technologies

940414 (四)

0220

萬海威 董事長

(聯茂電子公司) To be announced

940428 (四)

0220

蔡文亮 教授

(高雄師範大學 化學系)

Molecular Design Synthesis Identification and Physical Properties of Liquid Crystals

940519 (四)

0220

游靜惠 教授

(清華大學 化學系)

Theoretical investment of Hydrogen Bond Cooperativity and Stable Triplet Biradicals

- 10 -

輔仁大學化學系

九十三學年度下學期專題演講時間表

日期 演講者 服務單位 演講題目

317 陳重裕 工研院化工所 化學品應用於光電產業的趨勢

與機會

324 周良奎 華邦電子 The application of CMP(Chemical Mechanical Polish) in IC fabrication

331 鍾崇燊 清華大學化學系 如何培育學生的化學創造力

407 王家麟 中央大學化學系 空氣中氣態有機汙染物的自動

量測與空氣汙染問題

414 陳錦地 中研院化學所 Maleimide Fluorophores and their Copolymers for Red Organic Light-Emitting Diodes

428 何子樂 交大應化所 Synthesis Design by Symmetry Considerations amp Chemical Riddles

505 林震煌 師大化學系 毛細管電泳線上濃縮堆積技術

的發展與應用 時間 星期四下午 140 地點 化學系 CH118 教室

- 11 -

國立中山大學化學系 九十三學年度第二學期專題演講

( 聯絡電話化學系 TEL(07)5252000 轉 3901) 日期時間 主 講 人 題 目 連絡人

940223 1410-1500

杜慶光 博士 美國佛羅里達大學藥學系

Proton Transfer in Carbonic Anhydrases 黃宣容

940302 1410-1500

陳生明 教授 台北科技大學化工系

薄膜修飾電極電催化及生物電化學 黃宣容

940309 1410-1500

蕭志農 博士

神隆股份有限公司 Chromatography in Process Chemistry 張彥誠

940316 1410-1500

張增輝 教授

美國紐約大學 New Method for Quantum Chemical Study of Proteins 陳國美

940323 1410-1500

洪文俊 所長 中山生醫所

Chemistry and Biology 謝建台

940330 1410-1500

徐秀福 教授 淡江化學系

液晶材料設計-從化學家的觀點切入 王志偉

940413 1410-1500

王先知 副所長 工研院化工所

工研院的奈米生醫研發 陳國美

940420 1410-1500

陸天堯 教授 台大化學系

Helical Double Stranded Polymers 周金興

940504 1410-1500

陳仲瑄 研究員 中研院基因體研究中心

Ultrasensitive Detection Technologies and their Biomedical Applications 黃宣容

940511 1410-1500

李漢文 教授 彰師大化學系

The Chemistry of Phosphine-functionalized N-heterocyclic

Carbene

梁蘭昌

940528 1410-1500

蕭世裕 教授 成大化學系

Preparation of Magnetic Nanoparticles as Drug

Carriers

周金興

940601 1410-1500

林達顯 教授 陽明大學生化所

Structural Determination of Apolipoprotein E and β-amyloid Peptide

丁尚武

演講地點理小劇場(理 1001)

- 12 -

國立暨南國際大學 應用化學系 93 學年度第二學期 演講公告

日期 時間 演講者 講題

94225 (五) PM320~500

林敬堯 (暨南大學應化系助理教授)

Tailoring Ethynyl Substituted Porphyrins for Photonic Electrochemical and Nano-Scale Related Researches

9434 (五) PM320~500

王忠茂 (台灣師範大學化學系教授)

Photoelectrochemistry on Zeolites

94311 (五) PM320~500

陳皓君 (中正大學化學暨生物化學系教

授)

Damage of DNA and ProteinsReactions and Analysis

94325 (五) PM320~500

裘性天 (交通大學應用化學系教授)

Growth of Inorganic Solids at the Interphase

9448 (五) PM320~500

周禮君 (中正大學化學暨生物化學系教

授)

Biosensors

94415 (五) PM320~500

葉晨聖 (成功大學化學系教授)

NanomaterialsMetal and Metal Oxide

94422 (五) PM320~500

林萬寅 (台灣大學化學系教授)

Mechanism and Chemiluminescence of Microperoxidase-Catalyzed Reactions

94429 (五) PM320~500

陳暉 (中央大學化材系教授)

均一粒徑高分子微粒子的製

備與其在光子晶體上之應用

9456 (五) PM320~500

黃賢達 (清華大學化學系教授)

Simultaneous Determination of Trace Elements in Urine by GFAAS

94520 (五) PM320~500

楊吉水 (中央大學化學系副教授)

The Photochemistry of N-Aryl-Substituted trans-4-aminostilbenes

94527 (五) PM320~500

蔡世榮 (工研院化工所高分子技術組

正研究員兼組長)

機能性染料之微波合成與應

9463 (五) PM320~500

陳幹男 (淡江大學化學系教授)

Curing Reaction and Functionalization of Agueous-based Polyurethane

地點科技一館 第一演講廳

- 13 -

朝陽科技大學應用化學系

93 學年度第(二)學期演講公告

未特別註明者演講地點為圖書館一樓演講廳

(學期中演講增刪或更新請以即期演講公告為準)

日期 時間 演 講 者 講 題

31

(二) 130 PM

阮若屈 教授

(中央大學化學工程與材料工

程學系)

Quantum Dot Biotechnology

38

(二) 130 PM

韓肇中 博士

(中央研究院原子與分子科學

研究所)

Diamond New Biomedical Material for the Post-genomic Era

329

(二) 130 PM

孫世勝 博士

(中央研究院化學研究所)

Fluorescent Conjugated Polymer-Based Chemosensors

426

(二)

130 PM

(教學大樓

T1-207)

洪豐裕 教授

(中興大學化學系系主任)

Palladium Catalyzed Coupling Reactions Using Cobalt-Containing Bulky Phosphine Ligands

503

(二)

130 PM

(教學大樓

T1-207)

許嘉生 董事長

(穀盛股份有限公司) 未定

531

(二) 130 PM

洪政雄 教授

(彰化師範大學化學系) 未定

67

(二) 130 PM

何佳安 教授

(暨南國際大學應用化學系)

Applications of Liposomes in Biomedicine and Diagnostics

0614

(二) 130 PM

吳立真 教授

(暨南國際大學應用化學系)未定

- 14 -

台大化學系暨化學研究推動中心

93 學年度第(二)學期演講公告

未特別註明者演講地點為浦大邦講堂

(學期中演講增刪或更新請以即期演講公告為準)

日期 演 講 者 講 題

推薦者

221 (一)

330

Prof Jean-Franccedilois CARPENTIER

(Universiteacute de Rennes 1)

Lanthanide Complexes Incorporating Fluorenyl-based Ligands Unusual Bonding

Modes and Unique initiators for syndiospecific styrene polymerization

陳竹亭 教授

222 (二)

400

Dr Hung-Wen Li (Mcgill Chemistry Canada)

Single-Molecule Mechanistic Study of DNA Repair Enzymes

陳竹亭 教授

223 (三)

330

(化四)

Dr Tsang Chi-Wing (Research Associate Univ of

British Columbia) Utilizing P=C bonds in Polymer Science

劉緒宗 教授

224 (四)

200

Prof Yong Hae Kim Distinguished Professor of

KAIST Dept of Chemistry Korea

Dramatic Stereofacial Control in Asymmetric Syntheses

陸天堯 教授

225 (五)

330

黃乃正 (香港中文大學)

The Chemistry of Hydroxytetraphenylenes

陸天堯 教授

31 (二)

200

Prof Seebach Dieter Synthesis and Structures of β-Peptides

陸天堯 教授

33 (四)

200

(會議室)

Dr Sarah Thomas Dr Robert Parker

Dr David Barr (英國皇家學會)

TBA

陸天堯 教授

33 (四)

315

(化四)

Prof Yoshito Takeuchi (Department of Chemistry

Faculty of ScienceKanagawa University)

Organogermanium ChemistrymdashA Wonderland of Heteroatom Chemistry

陳竹亭 教授

- 15 -

日期 演 講 者 講 題

推薦者

33 (四)

415

(化四)

Prof Wasuke Mori (Department of Chemistry

Faculty of ScienceKanagawa University)

Microporous Materials of Metal Carboxylates Gas-occlusion Properties Inclusion Complex

Formation with Organic Polymer and Catalytic Activities for Hydrogenation of Olefins

陳竹亭 教授

345 (五六)

全日

台灣瑞士雙邊有機合成研討會

陸天堯 教授

38 (二)

200

Prof Hung-Wen Liu Learning natures strategies for making unusual sugars

陸天堯 教授

310 (四)

200

Prof Luisa De Cola (Chair of Molecular

Photonic Materials Van t Hoff Institute for Molecular

Sciences (HIMS) Univ of Amsterdam The

Netherlands)

Covalently and NonCovalently Linked Molecular Wires

陸天堯 教授

310 (四)

330

Prof Jeffery I Zink (UCLA)

Nano-Structured Sol-Gel Materials and Functional Molecular Machines

陳昭岑 教授

317 (四)

330

Prof Atsunori Mori (東京工業大學資源化學研

究所副教授)

Transition Metal-Catalyzed Reactions of Alkynes and Heteroaromatic

Compounds

陸天堯 教授

325 (五)

330

Prof G Mehta TBA

陸天堯 教授

4 8 (五)

330

Prof Richard Taylor TBA

陸天堯 教授

415 (五)

200

Prof Oshio (Tsukuba University)

High-Spin molecules toward single-molecule magnets

彭旭明 教授

415 (五)

330

黃迪靖 博士 (國家同步輻射研究中心副

研究員)

Charge and Orbital Ordering in Transition-Metal Oxides

劉如熹 教授

- 16 -

日期 演 講 者 講 題

推薦者

422 (五)

330

林建村 博士 (中研院化學所)

Electro-optic Materialsfrom OLEDs to Photovoltaics

陸天堯 教授

429 (五)

330

Prof Vijay nair TBA

陸天堯 教授

56 (五)

330

林寬鋸 教授 (中興大學化學系)

1D-Semiconducting Metal OxidesSynthesis and Applications

陸天堯 教授

520 (五)

330

許千樹 教授 (交通大學應用化學系)

Nanostructure Enhanced Polymer Light Emitting Diodes

陸天堯 教授

63 (五)

330

孫仲銘 教授 (東華大學化研所)

微波合成抑制新生血管增生先導藥物分子庫

陸天堯 教授

610 (五)

330

蔡明道 博士 (中央研究院基因體中心)

TBA

陸天堯 教授

- 17 -

93 學年第二學期 國立東華大學化學系專題演講

週次 日期 演講者 演講題目 邀請者

3 311 呂宗昕 教授 台灣大學化工系

奈米科技與奈米世界 羅幼旭

4 318 林志彪 教授 東華大學化學系

TBA 化學系

5 325 曹英彥 博士 中油公司

Preparation Characterization and Applications of Zeolite-supported

Subnano Metallic Particles

林志彪

7 48 陳慶年 博士 NIH (USA)

Magnetic Resonance Imaging ndash from a chemistrsquos perspective

錢嘉琳

8 415 Dr Wei Gang

Metal Based Self-Assembly in Supramolecular Chemistry

化學系

9 422 裘性天 教授 交通大學應化系

Growth of Inorganic Solids at the Interphase

林志彪

13 520 王雲銘 教授 高醫應化系

Synthesis and characterization of bio-activated contrast agents for Magnetic Resonance Imaging

劉鎮維

14 527 Prof John Z H ZhangNew York Univ

New Quantum Computational Study of Proteins

張秀華

15 63 林震煌 教授 臺灣師範大學化學系

毛細管電泳線上濃縮技術的發展

與應用 何彥鵬

16 610 李衍彰 教授 彰化師範大學化學系

Synthesis of the natural products as anti-tumor agents

註每週五下午 310pm-500pm

理二講堂

- 18 -

淡江大學化學系 93 學年度第(二)學期演講公告 演講時間每週一下午 210~400演講地點教育館 (Q-409)

日期 時間 演講者 演講題目

221(一) 210~400 傅達勳 危險物及毒化物之認識與運作

307(一) 210~400 Prof Yoshito Takeuchi(Kanagawa University)

Organogermanium Chemistry-A Wonderland of Heteroatom Chemistry

314(一) 210~400 張增輝教授 (美國紐約大學)

321(一) 210~400 施增廉 (淡江大學化學系)

Syntheses of a New Trihydroxy Piperidine Derivative Quercitols and Azepanes for Glycosidase Inhibitors from D-(-)-quinic Acid

328(一) 210~400 陳振漢

(國防醫學院生物晶片

中心)

蛋白質體技術之發展與應用

418(一) 210~400 林唯芳教授 (台大材料系)

分子奈米材料及元件應用

425(一) 210~400 刁維光副教授 (交大應化所)

紫質分子在奈米結構中的光物理與光化學

502(一) 210~400 楊禮明教授 (中國醫藥研究所)

509(一) 210~400 劉廣定教授 (台大化學系)

永續化學與液晶製備

516(一) 210~400 林倫年副研究員 (台大凝態中心)

523(一) 210~400 翁啟惠院士 (中研院)

化學生物與後基因時代之研究

530(一) 210~400 曾惠芳助理教授 (暨大應化系)

毛細管電泳在生化分析上的應用

606(一) 210~400 侯敦仁助理教授 (中央大學化學系)

合環歧化(Ring-Closing Metathesis)之合成

應用

613(一) 210~400 謝明發研究員 (工研院)

The polymeric nano-particles for drug delivery vehicles

- 19 -

中原大學化學系

93 學年度下學期-「學術專題演講」日程表

時間每週三 1500-1630

地點理學館 1樓講堂

主持人葉華光老師 聯絡電話03-2653305 日期 講員 標題 負責

實驗室

223 休息

32 中研院化學研究

所孫世勝博士 Fluorescent Conjugated Polymer-Based Chemosensors

楊千金老師

Lab

39 休息

316 中興大學化學系

林寬鋸教授

未定 葉華光老師

Lab

323 休息 (運動會)

330 南台科技大學

林鴻儒教授 Porous Scaffolds for Bone Tissue Engineering

李世琛老師

Lab

46 休息 (校外實習週)

413 台大醫學院

藥學研究所

李水盛教授

未定 蔡宗燕老師

Lab

420 休息 (期中考)

427 國立陽明大學

周成功教授 How to Struggle with a Novel Gene in the Genome Era

葉瑞銘老師

Lab

54 東吳大學

傅明仁教授 Drug analysis by LC-ES-MS

蔡祐輔老師

Lab

511 休息

518 休息

525 國立成功大學

林弘萍教授

中孔洞氧化矽和碳材料合成與應用 江彰吉老師

Lab

61 華邦電子

周良奎經理

The application of CMP in IC Fabrication

陳玉惠老師

Lab

68 清華大學化學系

劉行讓教授 Reductive Decyanation A Powerful Tool in Organic Synthesis

黃悉雅老師

Lab

615 休息

備註1 請各場次負責的實驗室於演講前做好教具測試 2 自本學期起各場次負責之實驗室僅提供茶水不再準備點心

- 20 -

國立嘉義大學應用化學系 九十三學年度第二學期演講公告

(學期中演講增刪或更新請以即期演講公告為準)

日期 時間 演 講 者 講 題

223

(三) pm1520

~1700 陳勁初主任 (葡萄王生技中心主任)

生技保健食品開發

302

(三) pm1520

~1700 陳泊余教授(高雄醫學大學 醫藥暨應用化學系)

The application of ionic liquids in electrochemistry

316

(三) Pm1520

~1700 陳焜銘教授 (師範大學化學系)

The development of camphor derived chiral ligands for asymmetric reactions

323

(三) pm1520

~1700 何佳安教授 (暨南大學化學系)

Liposome in Diagnostic Microbiology

330

(三) pm1330

~1510 夏克山博士 (國家衛生研究院)

Discovery of New Stem Cell Mobilizers Antagonizing CXCR4 Chemokine Receptor

406

(三) pm1520

~1700 陳幹男教授 (淡江大學化學系)

Hybridization of Aqueous-based Polymers

413

(三) pm1520

~1700 汪炳鈞教授 (清華大學化學系)

Asymmetric Synthesis Using Camphor Derived Chiral Ligands

504

(三) pm1520

~1700 林震煌教授 (師範大學化學系)

毛細管電泳線上濃縮技術的發展

與應用

427

(三) pm1520

~1700 劉英麟教授 (中原大學化工系)

應用二氧化矽奈米粒子於高分子

材料改質

註演講地點在工程館四樓視聽教室

- 21 -

中 央 研 究 院 化 學 研 究 所 INSTITUTE OF CHEMISTRY ACADEMIA SINICA

學 術 演 講 (Chemistry Colloquium)

0106 (四) 1530

唐本忠教授 香港科技大學 (推薦人 陶雨台教授) Light-Emitting Polyenes Polyynes and Polyarylenes

0110 (一) 1530

Prof Rudy Marcus California Institute of Technology USA (推薦人 許昭萍教授) Puzzling phenomena in the fluorescence intermittency of single quantum dots theory and experiment (地點 周大紓講堂)

0114 (五) 1530

Prof Samson A Jenekhe University of Washington USA (推薦人 陶雨台教授) Organic Electronics and Optoelectronics

0125 (二) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Design and Synthesis of Tumor-Targeting Boron Molecules

0126 (三) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Chemistry of Bis-π-allylpalladium for Organic Synthesis

0127 (四) 1530

Prof Teruo Shinmyozu Kyushu University Japan (推薦人 周大新教授) Synthesis Structure and Photochemical Properties of [3n]Cyclophanes (n = 2-6)

0129 (六) 功能性有機化合物的分子建構 小型研討會

0202 (三) 1530

曾志明教授 國立中興大學 (推薦人 陳錦地教授) Addressing grand energy challenges through advanced materials

0203 (四) 1030

江明錫博士 國立清華大學 (Interview Talk) f-ion speciation and d-f interaction toward electrocatalysis LnAn-polyoxotungstates

0218 (五) 1030

Dr Tiow-Gan Ong University of Ottawa Canada The stories of rationally designing a Guanidinate transition metal Complexes and constructing a Stable Carbene with a Novel Topology and Electronic Framework Their Role in Catalysis

0221 (一) 1030

Dr Chi-Wing Tsang University of British Columbia Canada (Interview Talk) Carborane - A New Weakly Coordinating Anion Utilizing P=C bonds in Polymer Chemistry

0225 (五) 1030

Dr Chen-Hsiung Hung National Changhua University of Education Metal Assisted Small Molecule Activations Using Porphyrin Analogues or NNO-Scorpionates as Ligands

0226 (六) 周大紓先生紀念研討會 (Ta-shue Chou Memorial Lecture) (地點 周大紓講堂)

0301 (二) 1030

Dr Wen-Yuan Hsieh Purdue University Synthesis Characterization of monomeric and dimeric Mn complexes

0302 (三) 1400

Prof Peter Chen Swiss Federal Institute of Technology Zurich Switzerland (推薦人 陸天堯教授) Organometallic Chemistry by ESI-MSMS High Valent Oxo Complexes Diolates Metallaoxetanes and Carbenes

0302 (三) 1530

Dr Sarah Thomas Royal Society of Chemistry Publishing Why Where and How (地點 周大紓講堂)

- 22 -

0303 (四) 1430

Prof Pierre Vogel Swiss Federal Institute of Technology Lausanne Switzerland (推薦人 陸天堯教授) Carbohydrate Mimetics Synthesis of C-Disaccharides Imino-C-disaccharides and Analogs and their Biological Properties

0303 (四) 1530

Prof Jay S Siegel University of Zurich Switzerland (推薦人 陸天堯教授) Cheap Fast and Out of Control Rationale for Combinatorial Chemistry

0304-05

第一屆台灣-瑞士雙邊有機合成研討會 Joint Swiss-Taiwanese Meeting ldquoFrontiers in Organic Synthesisrdquo (地點 國立台灣大學 原分所浦大邦演講廳)

0309 (三) Symposium

ldquoPhysical Studies on Photo- or Electron-responsive Materials 0310(四)

1400 陳月枝教授 國立交通大學 (推薦人 陳玉如教授) Title to be annouced

0324(四) 1530

王惠鈞所長 中研院生化所 (推薦人 陳長謙所長) Title to be announced

0407(四) 1530

Prof Richard Taylor University of York (推薦人 陸天堯教授) Title to be announced

0421(四) 1530

Prof Biswanath Das Indian Institute of Chemical Technology India (推薦人 畢爾曼教授) Investigation on Some Fundamental Reactions

地點A108 會議室 Revised on February 21 2005

- 23 -

國立彰化師範大學化學系九十三學年下學期專題演講一覽表

時間 演講者 服務單位 演講題目 地點 推薦人

411

pm 200 林建村

中央研究

院化學所 Electro-optic Materials from OLEDs to photovoltaics

藝薈館

系演講廳 李漢文

418

pm200 梁博煌

中央研究

院生化所 Anti-infectious drug discovery藝薈館

系演講廳 李衍彰

425

pm200 傅傳博

暨南大學

應化系 Development of Magnetic Separation for Analytical Chemistry

藝薈館

系演講廳 林秋薰

59

pm 200 蔡易州

清華大學

化學系 The power of Meal-Metal Multiple bonds

藝薈館

系演講廳 黃瑞賢

516

pm200 孫仲銘

東華大學

化學系 微波抗腫瘤藥物分子庫合成藝薈館

系演講廳 李衍彰

523

pm200 許昭萍

中央研究

院化學所 Electronic Coupling for electron transfer methods and applications

藝薈館

系演講廳 胡景瀚

66

pm200 林敬堯暨南大學

應化系

Tailoring ethynyl substituted porphyrins for photonic electrochemical and nano-related researches

藝薈館

系演講廳 洪政雄

613

pm200 莊琇惠

高雄大學

應化系 Chemical Vapor Deposition of Hafnium Oxonitride as High-k Materials

藝薈館

系演講廳 黃瑞賢

- 24 -

- 25 -

- 26 -

- 27 -

- 28 -

- 29 -

- 30 -

國科會化學推動中心補助學術研討會成果報告表

會議名稱94 年第一次國科會分析化學小組研討會

舉辦日期民國 94 年 2 月 19 日 至 民國 94 年 2 月 19 日

主辦機構國立中醫藥研究所國科會分析化學小組主持人蔡東湖傅明仁

舉辦地點國立中醫藥研究所 聯絡電話 02-2820 1999 ext 8091

出席人數工業界 人學術界(含學生) 110 人 共 110 人

會議重要成果 (如篇幅不足另以A4白紙填寫)

會議經過及議程

0900~0930 報到 0930~0940 主席國科會分析化學小組召集人傅明仁教授 0940~0950 致歡迎詞吳天賞教授 國立中醫藥研究所所長 0950~1040 專題演講食品中 acrylamide 之分析 周薰修博士 藥物食品檢驗局 主持人傅明仁教授 (東吳大學化學系) 1040~1110 茶點時間 1110~1200 專題演講哺乳動物體內 D-乳酸的分析 李仁愛助理教授 台北醫學大學藥學系

主持人蔡東湖教授 (國立中醫藥研究所) 1200~1320 中餐休息 1320~1410 專題演講利用分子轉印技術在人體肝臟細胞中重金屬中毒的飛 行式二次離子質譜儀(TOF-SIMS)離子影像分析研究 麥富德助理教授 中山醫學大學應用化學系

主持人李茂榮教授 (中興大學化學系) 1410~1500 專題演講具奈米結構之鋰電池電極材料研製與電化學析 劉茂煌助理教授 輔大化學系 主持人何國榮教授 (台灣大學化學系) 1500~1530 茶點時間 1530~1630 綜合座談跨領域幹細胞整合計畫

陳甫州教授 台中榮民總醫院 1630- 會議結束

- 31 -

重要收穫及心得

藉由此次會議接觸到來自各方的學術研究同仁也許各自專長的領域不盡相同但

對於分析化學的研究與應用有著彼此相同的努力目標相互的討論及觀摩不僅僅是成果

的分享更進一步帶來跨領域的合作靈感與契機

近來科學的發展已不再只靠一個人或一間實驗室單打獨鬥不同領域的結合發展漸

成顯學資訊與技術的交流也許會產生比預期更巨大的突破以生物科學這一個大的範

疇為例若缺少化學物理與數學的助益恐怕連傳統遺傳學理論都無法發展以古視今

現今各個次領域都擁有其各自的專長就跨領域幹細胞整合計畫而言只包含分生生理

的人才絕對不足分析化學甚至藥學的知識與技術也有其立足之地國科會分析化學小組

研討會就提供了這麼一個交流與合作的園地結合彼此的力量共同思考更遠大的未來 建議

首先先謝謝國科會化學推動中心的支持國科會分析化學小組的努力及國立中醫藥

研究所的配合使此次會議圓滿完成由於報名踴躍就一個一百多人參與的會議來說

此次補助的經費似乎稍嫌不足扣除演講者的講費及與會者的午餐其餘所剩無幾故將

來補助款若能依參與人數的多寡而稍做調整相信主辦機構能夠為與會者提供更好的服務

- 32 -

訪問教授訪問報告表

姓名 Prof Jean-Franccedilois Carpentier

訪問日期民國 94 年 2 月 20 日 至 民國 94 年 2 月 24 日

接待機構 清華大學化學系 接待人 季昀 教授 聯絡電話 (03) 5712956

訪問重要成果 (如篇幅不足另以A4白紙填寫)

1訪問經過

Prof Jean-Franccedilois Carpentier 於 20 日晚間抵達台灣經過一個晚上的短暫

休息星期一早晨赴台大化學系訪問中午與學生共進午餐交換研究心得並瞭解

該校研究狀況星期二赴淡江化學系訪問中午與晚間分別與學生與教員共進午晚

餐交換研究心得並瞭解該校研究近況並談及如何共同申請中法國際合作專案

星期三赴清大化學系訪問中午與該系教員共進午餐交換研究心得並瞭解該校研

究狀況晚間則回返回台北參觀一年一度的台北國際燈會星期四上午安排私人的

自由活動並赴台北市旅遊景點參訪晚間搭乘飛機離台

2演講行程及概要

2 月 21 日台灣大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 22 日淡江大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 23 日清華大學化學系Towards Green Plastics via Stereoselective Polymerization

of rac-Lactide with Discrete Group 3 Metal Complexes

3 重要收獲及心得

瞭解國際學術界在過渡金屬錯合物鑭系稀土錯合物的合成化學與催化反應方面的前

瞻進展狀態

並為建立合適管道執行未來國際學術合作促進國與國間的人員互動人員的相互

了解而努力

4其他意見

- 33 -

訪問教授訪問報告表

- 34 -

訪問教授訪問報告表

- 35 -

訪問教授訪問報告表

姓名Luis A Marky 教授 University of Nebraska Medical Center

訪問日期民國九十三年十二月四日至十一日

接待機構中央研究院 接待人甘魯生 聯絡電話02 2789 8550

訪問重要成果

訪問經過

Luis Marky 教授早年追隨熱力學

大師 Ken Breslauer之後為紐約

市大學及內布拉斯加州立大學

網羅是一位核酸熱力學專家

其論文發表在 J Am Chem Soc

Biochemistry Nucleic Acids Res

Methods Enzymol等知名國際專業雜誌上Marky 教授早在博士後研究員時即與本

人相識研究領域也相近一直有和他合作共同研究核酸的性質及結構的想法

他也對我們台灣非常友善此次有幸得到化學中心的資助得以邀請 Marky 來台

一方面洽談合作事誼一方面和國內學者及學生會談增進交流宣導有關核酸方

面的研究Marky 教授在短短一週內訪問了四所學術機構也以四個不同的題材

發表了四場學術演講次數相當密集把這次訪問推到最高峰幸好 Marky 教授

並不以為苦所以是一次成功的訪問 演講行程及概要

十二月四日星期六抵台

十二月五日星期日轉赴花蓮

十二月六日星期一

訪問國立東華大學

以ldquoDNA Hairpin Loops Folding Ligand Binding and Hydrationrdquo為題發表專題演講

- 36 -

十二月七日星期二

訪問中央研究院

以rdquoThermodynamics of DNA Triplexes Contributions of Base-Triplet Stacks and Base

Methylationrdquo為題發表專題演講

十二月八日星期三

訪問國立中正大學

以ldquoThermodynamics of DNA Triplexes Containing C-glycosides Basesrdquo為題發表專題

演講

十二月九日星期四

參觀故宮博物院

十二月十日星期五

訪問國立清華大學

以ldquoSherlock Holmesrsquos Adventures with Nucleic Acidsrdquo 為題發表專題演講

十二月十一日離台

重要收獲及心得

Marky 教授在信中稱他對四所訪問的學術機構中央研究院國立東華大學國

立中正大學及國立清華大學的教學及研究都有深刻的印也意外的面試了一位東

華生科所的學生準備收為研究生這是一件互惠之事Marky 教授也非常希望

能和我們合作共同研究

其他意見

(請見 Luis Marky 教授信)

- 37 -

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 8 -

國立中興大學化學系演講日程表

地點化學館 1 樓視聽教室 (93 學年度下學期)930201 時 間 演 講 人 演 講 題 目

0223 1030~1200

星期三

Postdoctoral Associate with Professor John F Hartwig at Yale University

李進發博士

1 From Propargylic Dithioacetals to 235-trisubstituted Furans

Toward Molecular Nanowire

2 Synthesis and Applications of Fluoroalkylphosphines 0302

1030~1200 星期三

嘉南藥理科技大學 王來好教授

Developments in Electrochemical Detection for Liquid Chromatography in Medicine and Chemistry

0309 1030~1200

星期三

中興大學 生物醫學研究所

闕斌如教授

A Tumor-Associated Cellular Target for the Anticancer Actions of Capsaicin and Green Tea Catechin

0316 1030~1200

星期三

淡江大學化學系 徐秀福教授

Design and Properties of Liquid Crystals with Board-like and Disk-like Cores

0323 1030~1200

星期三 黃聖言博士

Dynamics of Supercooled Water in Confinement

0330 1030~1200

星期三

國科會自然處 瞿港華副研究員

綠色溶液-離子液體與超臨界流體在金屬分離上的應用 (The Application of Ionic Liquid and Supercritical Fluid on the Separation of Metal Species )

0413 1030~1200

星期三

清華大學化學系 沙晉康教授

Radical and Ionic Cyclizations of α-Indo Ketones

Applications in the Total Synthesis of Natural Products

0420 1030~1200

星期三

淡江大學化學系 王文竹教授

螺旋超分子

0427 1030~1200

星期三

東華大學化學系 劉福成教授

Organohydroborate Chemistry of Early Transition Metal Complexes

0504 1030~1200

星期三

台灣大學化學系 劉如熹教授

具零維核殼結構及一維奈米金屬合成與特性分析研究

0511 1030~1200

星期三

中研院基因體中心 楊安綏研究員

Artificial protein binders as antibody alternatives

0518 1030~1200

星期三

中正大學化學系 于淑君教授

未定

- 9 -

高雄大學應用化學系

93 學年度第(二)學期演講公告 演講地點為理工二演講廳

日期 時間 演 講 者 講 題

940310 (四) 0220

董騰元 教授

(中山大學 化學系) Design and Preparation of Molecular Wire and Motor

940317 (四) 0220

方冠榮 教授

(成功大學 材料科學及

工程學系)

Materials and its processing for advanced energy technologies

940414 (四)

0220

萬海威 董事長

(聯茂電子公司) To be announced

940428 (四)

0220

蔡文亮 教授

(高雄師範大學 化學系)

Molecular Design Synthesis Identification and Physical Properties of Liquid Crystals

940519 (四)

0220

游靜惠 教授

(清華大學 化學系)

Theoretical investment of Hydrogen Bond Cooperativity and Stable Triplet Biradicals

- 10 -

輔仁大學化學系

九十三學年度下學期專題演講時間表

日期 演講者 服務單位 演講題目

317 陳重裕 工研院化工所 化學品應用於光電產業的趨勢

與機會

324 周良奎 華邦電子 The application of CMP(Chemical Mechanical Polish) in IC fabrication

331 鍾崇燊 清華大學化學系 如何培育學生的化學創造力

407 王家麟 中央大學化學系 空氣中氣態有機汙染物的自動

量測與空氣汙染問題

414 陳錦地 中研院化學所 Maleimide Fluorophores and their Copolymers for Red Organic Light-Emitting Diodes

428 何子樂 交大應化所 Synthesis Design by Symmetry Considerations amp Chemical Riddles

505 林震煌 師大化學系 毛細管電泳線上濃縮堆積技術

的發展與應用 時間 星期四下午 140 地點 化學系 CH118 教室

- 11 -

國立中山大學化學系 九十三學年度第二學期專題演講

( 聯絡電話化學系 TEL(07)5252000 轉 3901) 日期時間 主 講 人 題 目 連絡人

940223 1410-1500

杜慶光 博士 美國佛羅里達大學藥學系

Proton Transfer in Carbonic Anhydrases 黃宣容

940302 1410-1500

陳生明 教授 台北科技大學化工系

薄膜修飾電極電催化及生物電化學 黃宣容

940309 1410-1500

蕭志農 博士

神隆股份有限公司 Chromatography in Process Chemistry 張彥誠

940316 1410-1500

張增輝 教授

美國紐約大學 New Method for Quantum Chemical Study of Proteins 陳國美

940323 1410-1500

洪文俊 所長 中山生醫所

Chemistry and Biology 謝建台

940330 1410-1500

徐秀福 教授 淡江化學系

液晶材料設計-從化學家的觀點切入 王志偉

940413 1410-1500

王先知 副所長 工研院化工所

工研院的奈米生醫研發 陳國美

940420 1410-1500

陸天堯 教授 台大化學系

Helical Double Stranded Polymers 周金興

940504 1410-1500

陳仲瑄 研究員 中研院基因體研究中心

Ultrasensitive Detection Technologies and their Biomedical Applications 黃宣容

940511 1410-1500

李漢文 教授 彰師大化學系

The Chemistry of Phosphine-functionalized N-heterocyclic

Carbene

梁蘭昌

940528 1410-1500

蕭世裕 教授 成大化學系

Preparation of Magnetic Nanoparticles as Drug

Carriers

周金興

940601 1410-1500

林達顯 教授 陽明大學生化所

Structural Determination of Apolipoprotein E and β-amyloid Peptide

丁尚武

演講地點理小劇場(理 1001)

- 12 -

國立暨南國際大學 應用化學系 93 學年度第二學期 演講公告

日期 時間 演講者 講題

94225 (五) PM320~500

林敬堯 (暨南大學應化系助理教授)

Tailoring Ethynyl Substituted Porphyrins for Photonic Electrochemical and Nano-Scale Related Researches

9434 (五) PM320~500

王忠茂 (台灣師範大學化學系教授)

Photoelectrochemistry on Zeolites

94311 (五) PM320~500

陳皓君 (中正大學化學暨生物化學系教

授)

Damage of DNA and ProteinsReactions and Analysis

94325 (五) PM320~500

裘性天 (交通大學應用化學系教授)

Growth of Inorganic Solids at the Interphase

9448 (五) PM320~500

周禮君 (中正大學化學暨生物化學系教

授)

Biosensors

94415 (五) PM320~500

葉晨聖 (成功大學化學系教授)

NanomaterialsMetal and Metal Oxide

94422 (五) PM320~500

林萬寅 (台灣大學化學系教授)

Mechanism and Chemiluminescence of Microperoxidase-Catalyzed Reactions

94429 (五) PM320~500

陳暉 (中央大學化材系教授)

均一粒徑高分子微粒子的製

備與其在光子晶體上之應用

9456 (五) PM320~500

黃賢達 (清華大學化學系教授)

Simultaneous Determination of Trace Elements in Urine by GFAAS

94520 (五) PM320~500

楊吉水 (中央大學化學系副教授)

The Photochemistry of N-Aryl-Substituted trans-4-aminostilbenes

94527 (五) PM320~500

蔡世榮 (工研院化工所高分子技術組

正研究員兼組長)

機能性染料之微波合成與應

9463 (五) PM320~500

陳幹男 (淡江大學化學系教授)

Curing Reaction and Functionalization of Agueous-based Polyurethane

地點科技一館 第一演講廳

- 13 -

朝陽科技大學應用化學系

93 學年度第(二)學期演講公告

未特別註明者演講地點為圖書館一樓演講廳

(學期中演講增刪或更新請以即期演講公告為準)

日期 時間 演 講 者 講 題

31

(二) 130 PM

阮若屈 教授

(中央大學化學工程與材料工

程學系)

Quantum Dot Biotechnology

38

(二) 130 PM

韓肇中 博士

(中央研究院原子與分子科學

研究所)

Diamond New Biomedical Material for the Post-genomic Era

329

(二) 130 PM

孫世勝 博士

(中央研究院化學研究所)

Fluorescent Conjugated Polymer-Based Chemosensors

426

(二)

130 PM

(教學大樓

T1-207)

洪豐裕 教授

(中興大學化學系系主任)

Palladium Catalyzed Coupling Reactions Using Cobalt-Containing Bulky Phosphine Ligands

503

(二)

130 PM

(教學大樓

T1-207)

許嘉生 董事長

(穀盛股份有限公司) 未定

531

(二) 130 PM

洪政雄 教授

(彰化師範大學化學系) 未定

67

(二) 130 PM

何佳安 教授

(暨南國際大學應用化學系)

Applications of Liposomes in Biomedicine and Diagnostics

0614

(二) 130 PM

吳立真 教授

(暨南國際大學應用化學系)未定

- 14 -

台大化學系暨化學研究推動中心

93 學年度第(二)學期演講公告

未特別註明者演講地點為浦大邦講堂

(學期中演講增刪或更新請以即期演講公告為準)

日期 演 講 者 講 題

推薦者

221 (一)

330

Prof Jean-Franccedilois CARPENTIER

(Universiteacute de Rennes 1)

Lanthanide Complexes Incorporating Fluorenyl-based Ligands Unusual Bonding

Modes and Unique initiators for syndiospecific styrene polymerization

陳竹亭 教授

222 (二)

400

Dr Hung-Wen Li (Mcgill Chemistry Canada)

Single-Molecule Mechanistic Study of DNA Repair Enzymes

陳竹亭 教授

223 (三)

330

(化四)

Dr Tsang Chi-Wing (Research Associate Univ of

British Columbia) Utilizing P=C bonds in Polymer Science

劉緒宗 教授

224 (四)

200

Prof Yong Hae Kim Distinguished Professor of

KAIST Dept of Chemistry Korea

Dramatic Stereofacial Control in Asymmetric Syntheses

陸天堯 教授

225 (五)

330

黃乃正 (香港中文大學)

The Chemistry of Hydroxytetraphenylenes

陸天堯 教授

31 (二)

200

Prof Seebach Dieter Synthesis and Structures of β-Peptides

陸天堯 教授

33 (四)

200

(會議室)

Dr Sarah Thomas Dr Robert Parker

Dr David Barr (英國皇家學會)

TBA

陸天堯 教授

33 (四)

315

(化四)

Prof Yoshito Takeuchi (Department of Chemistry

Faculty of ScienceKanagawa University)

Organogermanium ChemistrymdashA Wonderland of Heteroatom Chemistry

陳竹亭 教授

- 15 -

日期 演 講 者 講 題

推薦者

33 (四)

415

(化四)

Prof Wasuke Mori (Department of Chemistry

Faculty of ScienceKanagawa University)

Microporous Materials of Metal Carboxylates Gas-occlusion Properties Inclusion Complex

Formation with Organic Polymer and Catalytic Activities for Hydrogenation of Olefins

陳竹亭 教授

345 (五六)

全日

台灣瑞士雙邊有機合成研討會

陸天堯 教授

38 (二)

200

Prof Hung-Wen Liu Learning natures strategies for making unusual sugars

陸天堯 教授

310 (四)

200

Prof Luisa De Cola (Chair of Molecular

Photonic Materials Van t Hoff Institute for Molecular

Sciences (HIMS) Univ of Amsterdam The

Netherlands)

Covalently and NonCovalently Linked Molecular Wires

陸天堯 教授

310 (四)

330

Prof Jeffery I Zink (UCLA)

Nano-Structured Sol-Gel Materials and Functional Molecular Machines

陳昭岑 教授

317 (四)

330

Prof Atsunori Mori (東京工業大學資源化學研

究所副教授)

Transition Metal-Catalyzed Reactions of Alkynes and Heteroaromatic

Compounds

陸天堯 教授

325 (五)

330

Prof G Mehta TBA

陸天堯 教授

4 8 (五)

330

Prof Richard Taylor TBA

陸天堯 教授

415 (五)

200

Prof Oshio (Tsukuba University)

High-Spin molecules toward single-molecule magnets

彭旭明 教授

415 (五)

330

黃迪靖 博士 (國家同步輻射研究中心副

研究員)

Charge and Orbital Ordering in Transition-Metal Oxides

劉如熹 教授

- 16 -

日期 演 講 者 講 題

推薦者

422 (五)

330

林建村 博士 (中研院化學所)

Electro-optic Materialsfrom OLEDs to Photovoltaics

陸天堯 教授

429 (五)

330

Prof Vijay nair TBA

陸天堯 教授

56 (五)

330

林寬鋸 教授 (中興大學化學系)

1D-Semiconducting Metal OxidesSynthesis and Applications

陸天堯 教授

520 (五)

330

許千樹 教授 (交通大學應用化學系)

Nanostructure Enhanced Polymer Light Emitting Diodes

陸天堯 教授

63 (五)

330

孫仲銘 教授 (東華大學化研所)

微波合成抑制新生血管增生先導藥物分子庫

陸天堯 教授

610 (五)

330

蔡明道 博士 (中央研究院基因體中心)

TBA

陸天堯 教授

- 17 -

93 學年第二學期 國立東華大學化學系專題演講

週次 日期 演講者 演講題目 邀請者

3 311 呂宗昕 教授 台灣大學化工系

奈米科技與奈米世界 羅幼旭

4 318 林志彪 教授 東華大學化學系

TBA 化學系

5 325 曹英彥 博士 中油公司

Preparation Characterization and Applications of Zeolite-supported

Subnano Metallic Particles

林志彪

7 48 陳慶年 博士 NIH (USA)

Magnetic Resonance Imaging ndash from a chemistrsquos perspective

錢嘉琳

8 415 Dr Wei Gang

Metal Based Self-Assembly in Supramolecular Chemistry

化學系

9 422 裘性天 教授 交通大學應化系

Growth of Inorganic Solids at the Interphase

林志彪

13 520 王雲銘 教授 高醫應化系

Synthesis and characterization of bio-activated contrast agents for Magnetic Resonance Imaging

劉鎮維

14 527 Prof John Z H ZhangNew York Univ

New Quantum Computational Study of Proteins

張秀華

15 63 林震煌 教授 臺灣師範大學化學系

毛細管電泳線上濃縮技術的發展

與應用 何彥鵬

16 610 李衍彰 教授 彰化師範大學化學系

Synthesis of the natural products as anti-tumor agents

註每週五下午 310pm-500pm

理二講堂

- 18 -

淡江大學化學系 93 學年度第(二)學期演講公告 演講時間每週一下午 210~400演講地點教育館 (Q-409)

日期 時間 演講者 演講題目

221(一) 210~400 傅達勳 危險物及毒化物之認識與運作

307(一) 210~400 Prof Yoshito Takeuchi(Kanagawa University)

Organogermanium Chemistry-A Wonderland of Heteroatom Chemistry

314(一) 210~400 張增輝教授 (美國紐約大學)

321(一) 210~400 施增廉 (淡江大學化學系)

Syntheses of a New Trihydroxy Piperidine Derivative Quercitols and Azepanes for Glycosidase Inhibitors from D-(-)-quinic Acid

328(一) 210~400 陳振漢

(國防醫學院生物晶片

中心)

蛋白質體技術之發展與應用

418(一) 210~400 林唯芳教授 (台大材料系)

分子奈米材料及元件應用

425(一) 210~400 刁維光副教授 (交大應化所)

紫質分子在奈米結構中的光物理與光化學

502(一) 210~400 楊禮明教授 (中國醫藥研究所)

509(一) 210~400 劉廣定教授 (台大化學系)

永續化學與液晶製備

516(一) 210~400 林倫年副研究員 (台大凝態中心)

523(一) 210~400 翁啟惠院士 (中研院)

化學生物與後基因時代之研究

530(一) 210~400 曾惠芳助理教授 (暨大應化系)

毛細管電泳在生化分析上的應用

606(一) 210~400 侯敦仁助理教授 (中央大學化學系)

合環歧化(Ring-Closing Metathesis)之合成

應用

613(一) 210~400 謝明發研究員 (工研院)

The polymeric nano-particles for drug delivery vehicles

- 19 -

中原大學化學系

93 學年度下學期-「學術專題演講」日程表

時間每週三 1500-1630

地點理學館 1樓講堂

主持人葉華光老師 聯絡電話03-2653305 日期 講員 標題 負責

實驗室

223 休息

32 中研院化學研究

所孫世勝博士 Fluorescent Conjugated Polymer-Based Chemosensors

楊千金老師

Lab

39 休息

316 中興大學化學系

林寬鋸教授

未定 葉華光老師

Lab

323 休息 (運動會)

330 南台科技大學

林鴻儒教授 Porous Scaffolds for Bone Tissue Engineering

李世琛老師

Lab

46 休息 (校外實習週)

413 台大醫學院

藥學研究所

李水盛教授

未定 蔡宗燕老師

Lab

420 休息 (期中考)

427 國立陽明大學

周成功教授 How to Struggle with a Novel Gene in the Genome Era

葉瑞銘老師

Lab

54 東吳大學

傅明仁教授 Drug analysis by LC-ES-MS

蔡祐輔老師

Lab

511 休息

518 休息

525 國立成功大學

林弘萍教授

中孔洞氧化矽和碳材料合成與應用 江彰吉老師

Lab

61 華邦電子

周良奎經理

The application of CMP in IC Fabrication

陳玉惠老師

Lab

68 清華大學化學系

劉行讓教授 Reductive Decyanation A Powerful Tool in Organic Synthesis

黃悉雅老師

Lab

615 休息

備註1 請各場次負責的實驗室於演講前做好教具測試 2 自本學期起各場次負責之實驗室僅提供茶水不再準備點心

- 20 -

國立嘉義大學應用化學系 九十三學年度第二學期演講公告

(學期中演講增刪或更新請以即期演講公告為準)

日期 時間 演 講 者 講 題

223

(三) pm1520

~1700 陳勁初主任 (葡萄王生技中心主任)

生技保健食品開發

302

(三) pm1520

~1700 陳泊余教授(高雄醫學大學 醫藥暨應用化學系)

The application of ionic liquids in electrochemistry

316

(三) Pm1520

~1700 陳焜銘教授 (師範大學化學系)

The development of camphor derived chiral ligands for asymmetric reactions

323

(三) pm1520

~1700 何佳安教授 (暨南大學化學系)

Liposome in Diagnostic Microbiology

330

(三) pm1330

~1510 夏克山博士 (國家衛生研究院)

Discovery of New Stem Cell Mobilizers Antagonizing CXCR4 Chemokine Receptor

406

(三) pm1520

~1700 陳幹男教授 (淡江大學化學系)

Hybridization of Aqueous-based Polymers

413

(三) pm1520

~1700 汪炳鈞教授 (清華大學化學系)

Asymmetric Synthesis Using Camphor Derived Chiral Ligands

504

(三) pm1520

~1700 林震煌教授 (師範大學化學系)

毛細管電泳線上濃縮技術的發展

與應用

427

(三) pm1520

~1700 劉英麟教授 (中原大學化工系)

應用二氧化矽奈米粒子於高分子

材料改質

註演講地點在工程館四樓視聽教室

- 21 -

中 央 研 究 院 化 學 研 究 所 INSTITUTE OF CHEMISTRY ACADEMIA SINICA

學 術 演 講 (Chemistry Colloquium)

0106 (四) 1530

唐本忠教授 香港科技大學 (推薦人 陶雨台教授) Light-Emitting Polyenes Polyynes and Polyarylenes

0110 (一) 1530

Prof Rudy Marcus California Institute of Technology USA (推薦人 許昭萍教授) Puzzling phenomena in the fluorescence intermittency of single quantum dots theory and experiment (地點 周大紓講堂)

0114 (五) 1530

Prof Samson A Jenekhe University of Washington USA (推薦人 陶雨台教授) Organic Electronics and Optoelectronics

0125 (二) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Design and Synthesis of Tumor-Targeting Boron Molecules

0126 (三) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Chemistry of Bis-π-allylpalladium for Organic Synthesis

0127 (四) 1530

Prof Teruo Shinmyozu Kyushu University Japan (推薦人 周大新教授) Synthesis Structure and Photochemical Properties of [3n]Cyclophanes (n = 2-6)

0129 (六) 功能性有機化合物的分子建構 小型研討會

0202 (三) 1530

曾志明教授 國立中興大學 (推薦人 陳錦地教授) Addressing grand energy challenges through advanced materials

0203 (四) 1030

江明錫博士 國立清華大學 (Interview Talk) f-ion speciation and d-f interaction toward electrocatalysis LnAn-polyoxotungstates

0218 (五) 1030

Dr Tiow-Gan Ong University of Ottawa Canada The stories of rationally designing a Guanidinate transition metal Complexes and constructing a Stable Carbene with a Novel Topology and Electronic Framework Their Role in Catalysis

0221 (一) 1030

Dr Chi-Wing Tsang University of British Columbia Canada (Interview Talk) Carborane - A New Weakly Coordinating Anion Utilizing P=C bonds in Polymer Chemistry

0225 (五) 1030

Dr Chen-Hsiung Hung National Changhua University of Education Metal Assisted Small Molecule Activations Using Porphyrin Analogues or NNO-Scorpionates as Ligands

0226 (六) 周大紓先生紀念研討會 (Ta-shue Chou Memorial Lecture) (地點 周大紓講堂)

0301 (二) 1030

Dr Wen-Yuan Hsieh Purdue University Synthesis Characterization of monomeric and dimeric Mn complexes

0302 (三) 1400

Prof Peter Chen Swiss Federal Institute of Technology Zurich Switzerland (推薦人 陸天堯教授) Organometallic Chemistry by ESI-MSMS High Valent Oxo Complexes Diolates Metallaoxetanes and Carbenes

0302 (三) 1530

Dr Sarah Thomas Royal Society of Chemistry Publishing Why Where and How (地點 周大紓講堂)

- 22 -

0303 (四) 1430

Prof Pierre Vogel Swiss Federal Institute of Technology Lausanne Switzerland (推薦人 陸天堯教授) Carbohydrate Mimetics Synthesis of C-Disaccharides Imino-C-disaccharides and Analogs and their Biological Properties

0303 (四) 1530

Prof Jay S Siegel University of Zurich Switzerland (推薦人 陸天堯教授) Cheap Fast and Out of Control Rationale for Combinatorial Chemistry

0304-05

第一屆台灣-瑞士雙邊有機合成研討會 Joint Swiss-Taiwanese Meeting ldquoFrontiers in Organic Synthesisrdquo (地點 國立台灣大學 原分所浦大邦演講廳)

0309 (三) Symposium

ldquoPhysical Studies on Photo- or Electron-responsive Materials 0310(四)

1400 陳月枝教授 國立交通大學 (推薦人 陳玉如教授) Title to be annouced

0324(四) 1530

王惠鈞所長 中研院生化所 (推薦人 陳長謙所長) Title to be announced

0407(四) 1530

Prof Richard Taylor University of York (推薦人 陸天堯教授) Title to be announced

0421(四) 1530

Prof Biswanath Das Indian Institute of Chemical Technology India (推薦人 畢爾曼教授) Investigation on Some Fundamental Reactions

地點A108 會議室 Revised on February 21 2005

- 23 -

國立彰化師範大學化學系九十三學年下學期專題演講一覽表

時間 演講者 服務單位 演講題目 地點 推薦人

411

pm 200 林建村

中央研究

院化學所 Electro-optic Materials from OLEDs to photovoltaics

藝薈館

系演講廳 李漢文

418

pm200 梁博煌

中央研究

院生化所 Anti-infectious drug discovery藝薈館

系演講廳 李衍彰

425

pm200 傅傳博

暨南大學

應化系 Development of Magnetic Separation for Analytical Chemistry

藝薈館

系演講廳 林秋薰

59

pm 200 蔡易州

清華大學

化學系 The power of Meal-Metal Multiple bonds

藝薈館

系演講廳 黃瑞賢

516

pm200 孫仲銘

東華大學

化學系 微波抗腫瘤藥物分子庫合成藝薈館

系演講廳 李衍彰

523

pm200 許昭萍

中央研究

院化學所 Electronic Coupling for electron transfer methods and applications

藝薈館

系演講廳 胡景瀚

66

pm200 林敬堯暨南大學

應化系

Tailoring ethynyl substituted porphyrins for photonic electrochemical and nano-related researches

藝薈館

系演講廳 洪政雄

613

pm200 莊琇惠

高雄大學

應化系 Chemical Vapor Deposition of Hafnium Oxonitride as High-k Materials

藝薈館

系演講廳 黃瑞賢

- 24 -

- 25 -

- 26 -

- 27 -

- 28 -

- 29 -

- 30 -

國科會化學推動中心補助學術研討會成果報告表

會議名稱94 年第一次國科會分析化學小組研討會

舉辦日期民國 94 年 2 月 19 日 至 民國 94 年 2 月 19 日

主辦機構國立中醫藥研究所國科會分析化學小組主持人蔡東湖傅明仁

舉辦地點國立中醫藥研究所 聯絡電話 02-2820 1999 ext 8091

出席人數工業界 人學術界(含學生) 110 人 共 110 人

會議重要成果 (如篇幅不足另以A4白紙填寫)

會議經過及議程

0900~0930 報到 0930~0940 主席國科會分析化學小組召集人傅明仁教授 0940~0950 致歡迎詞吳天賞教授 國立中醫藥研究所所長 0950~1040 專題演講食品中 acrylamide 之分析 周薰修博士 藥物食品檢驗局 主持人傅明仁教授 (東吳大學化學系) 1040~1110 茶點時間 1110~1200 專題演講哺乳動物體內 D-乳酸的分析 李仁愛助理教授 台北醫學大學藥學系

主持人蔡東湖教授 (國立中醫藥研究所) 1200~1320 中餐休息 1320~1410 專題演講利用分子轉印技術在人體肝臟細胞中重金屬中毒的飛 行式二次離子質譜儀(TOF-SIMS)離子影像分析研究 麥富德助理教授 中山醫學大學應用化學系

主持人李茂榮教授 (中興大學化學系) 1410~1500 專題演講具奈米結構之鋰電池電極材料研製與電化學析 劉茂煌助理教授 輔大化學系 主持人何國榮教授 (台灣大學化學系) 1500~1530 茶點時間 1530~1630 綜合座談跨領域幹細胞整合計畫

陳甫州教授 台中榮民總醫院 1630- 會議結束

- 31 -

重要收穫及心得

藉由此次會議接觸到來自各方的學術研究同仁也許各自專長的領域不盡相同但

對於分析化學的研究與應用有著彼此相同的努力目標相互的討論及觀摩不僅僅是成果

的分享更進一步帶來跨領域的合作靈感與契機

近來科學的發展已不再只靠一個人或一間實驗室單打獨鬥不同領域的結合發展漸

成顯學資訊與技術的交流也許會產生比預期更巨大的突破以生物科學這一個大的範

疇為例若缺少化學物理與數學的助益恐怕連傳統遺傳學理論都無法發展以古視今

現今各個次領域都擁有其各自的專長就跨領域幹細胞整合計畫而言只包含分生生理

的人才絕對不足分析化學甚至藥學的知識與技術也有其立足之地國科會分析化學小組

研討會就提供了這麼一個交流與合作的園地結合彼此的力量共同思考更遠大的未來 建議

首先先謝謝國科會化學推動中心的支持國科會分析化學小組的努力及國立中醫藥

研究所的配合使此次會議圓滿完成由於報名踴躍就一個一百多人參與的會議來說

此次補助的經費似乎稍嫌不足扣除演講者的講費及與會者的午餐其餘所剩無幾故將

來補助款若能依參與人數的多寡而稍做調整相信主辦機構能夠為與會者提供更好的服務

- 32 -

訪問教授訪問報告表

姓名 Prof Jean-Franccedilois Carpentier

訪問日期民國 94 年 2 月 20 日 至 民國 94 年 2 月 24 日

接待機構 清華大學化學系 接待人 季昀 教授 聯絡電話 (03) 5712956

訪問重要成果 (如篇幅不足另以A4白紙填寫)

1訪問經過

Prof Jean-Franccedilois Carpentier 於 20 日晚間抵達台灣經過一個晚上的短暫

休息星期一早晨赴台大化學系訪問中午與學生共進午餐交換研究心得並瞭解

該校研究狀況星期二赴淡江化學系訪問中午與晚間分別與學生與教員共進午晚

餐交換研究心得並瞭解該校研究近況並談及如何共同申請中法國際合作專案

星期三赴清大化學系訪問中午與該系教員共進午餐交換研究心得並瞭解該校研

究狀況晚間則回返回台北參觀一年一度的台北國際燈會星期四上午安排私人的

自由活動並赴台北市旅遊景點參訪晚間搭乘飛機離台

2演講行程及概要

2 月 21 日台灣大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 22 日淡江大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 23 日清華大學化學系Towards Green Plastics via Stereoselective Polymerization

of rac-Lactide with Discrete Group 3 Metal Complexes

3 重要收獲及心得

瞭解國際學術界在過渡金屬錯合物鑭系稀土錯合物的合成化學與催化反應方面的前

瞻進展狀態

並為建立合適管道執行未來國際學術合作促進國與國間的人員互動人員的相互

了解而努力

4其他意見

- 33 -

訪問教授訪問報告表

- 34 -

訪問教授訪問報告表

- 35 -

訪問教授訪問報告表

姓名Luis A Marky 教授 University of Nebraska Medical Center

訪問日期民國九十三年十二月四日至十一日

接待機構中央研究院 接待人甘魯生 聯絡電話02 2789 8550

訪問重要成果

訪問經過

Luis Marky 教授早年追隨熱力學

大師 Ken Breslauer之後為紐約

市大學及內布拉斯加州立大學

網羅是一位核酸熱力學專家

其論文發表在 J Am Chem Soc

Biochemistry Nucleic Acids Res

Methods Enzymol等知名國際專業雜誌上Marky 教授早在博士後研究員時即與本

人相識研究領域也相近一直有和他合作共同研究核酸的性質及結構的想法

他也對我們台灣非常友善此次有幸得到化學中心的資助得以邀請 Marky 來台

一方面洽談合作事誼一方面和國內學者及學生會談增進交流宣導有關核酸方

面的研究Marky 教授在短短一週內訪問了四所學術機構也以四個不同的題材

發表了四場學術演講次數相當密集把這次訪問推到最高峰幸好 Marky 教授

並不以為苦所以是一次成功的訪問 演講行程及概要

十二月四日星期六抵台

十二月五日星期日轉赴花蓮

十二月六日星期一

訪問國立東華大學

以ldquoDNA Hairpin Loops Folding Ligand Binding and Hydrationrdquo為題發表專題演講

- 36 -

十二月七日星期二

訪問中央研究院

以rdquoThermodynamics of DNA Triplexes Contributions of Base-Triplet Stacks and Base

Methylationrdquo為題發表專題演講

十二月八日星期三

訪問國立中正大學

以ldquoThermodynamics of DNA Triplexes Containing C-glycosides Basesrdquo為題發表專題

演講

十二月九日星期四

參觀故宮博物院

十二月十日星期五

訪問國立清華大學

以ldquoSherlock Holmesrsquos Adventures with Nucleic Acidsrdquo 為題發表專題演講

十二月十一日離台

重要收獲及心得

Marky 教授在信中稱他對四所訪問的學術機構中央研究院國立東華大學國

立中正大學及國立清華大學的教學及研究都有深刻的印也意外的面試了一位東

華生科所的學生準備收為研究生這是一件互惠之事Marky 教授也非常希望

能和我們合作共同研究

其他意見

(請見 Luis Marky 教授信)

- 37 -

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 9 -

高雄大學應用化學系

93 學年度第(二)學期演講公告 演講地點為理工二演講廳

日期 時間 演 講 者 講 題

940310 (四) 0220

董騰元 教授

(中山大學 化學系) Design and Preparation of Molecular Wire and Motor

940317 (四) 0220

方冠榮 教授

(成功大學 材料科學及

工程學系)

Materials and its processing for advanced energy technologies

940414 (四)

0220

萬海威 董事長

(聯茂電子公司) To be announced

940428 (四)

0220

蔡文亮 教授

(高雄師範大學 化學系)

Molecular Design Synthesis Identification and Physical Properties of Liquid Crystals

940519 (四)

0220

游靜惠 教授

(清華大學 化學系)

Theoretical investment of Hydrogen Bond Cooperativity and Stable Triplet Biradicals

- 10 -

輔仁大學化學系

九十三學年度下學期專題演講時間表

日期 演講者 服務單位 演講題目

317 陳重裕 工研院化工所 化學品應用於光電產業的趨勢

與機會

324 周良奎 華邦電子 The application of CMP(Chemical Mechanical Polish) in IC fabrication

331 鍾崇燊 清華大學化學系 如何培育學生的化學創造力

407 王家麟 中央大學化學系 空氣中氣態有機汙染物的自動

量測與空氣汙染問題

414 陳錦地 中研院化學所 Maleimide Fluorophores and their Copolymers for Red Organic Light-Emitting Diodes

428 何子樂 交大應化所 Synthesis Design by Symmetry Considerations amp Chemical Riddles

505 林震煌 師大化學系 毛細管電泳線上濃縮堆積技術

的發展與應用 時間 星期四下午 140 地點 化學系 CH118 教室

- 11 -

國立中山大學化學系 九十三學年度第二學期專題演講

( 聯絡電話化學系 TEL(07)5252000 轉 3901) 日期時間 主 講 人 題 目 連絡人

940223 1410-1500

杜慶光 博士 美國佛羅里達大學藥學系

Proton Transfer in Carbonic Anhydrases 黃宣容

940302 1410-1500

陳生明 教授 台北科技大學化工系

薄膜修飾電極電催化及生物電化學 黃宣容

940309 1410-1500

蕭志農 博士

神隆股份有限公司 Chromatography in Process Chemistry 張彥誠

940316 1410-1500

張增輝 教授

美國紐約大學 New Method for Quantum Chemical Study of Proteins 陳國美

940323 1410-1500

洪文俊 所長 中山生醫所

Chemistry and Biology 謝建台

940330 1410-1500

徐秀福 教授 淡江化學系

液晶材料設計-從化學家的觀點切入 王志偉

940413 1410-1500

王先知 副所長 工研院化工所

工研院的奈米生醫研發 陳國美

940420 1410-1500

陸天堯 教授 台大化學系

Helical Double Stranded Polymers 周金興

940504 1410-1500

陳仲瑄 研究員 中研院基因體研究中心

Ultrasensitive Detection Technologies and their Biomedical Applications 黃宣容

940511 1410-1500

李漢文 教授 彰師大化學系

The Chemistry of Phosphine-functionalized N-heterocyclic

Carbene

梁蘭昌

940528 1410-1500

蕭世裕 教授 成大化學系

Preparation of Magnetic Nanoparticles as Drug

Carriers

周金興

940601 1410-1500

林達顯 教授 陽明大學生化所

Structural Determination of Apolipoprotein E and β-amyloid Peptide

丁尚武

演講地點理小劇場(理 1001)

- 12 -

國立暨南國際大學 應用化學系 93 學年度第二學期 演講公告

日期 時間 演講者 講題

94225 (五) PM320~500

林敬堯 (暨南大學應化系助理教授)

Tailoring Ethynyl Substituted Porphyrins for Photonic Electrochemical and Nano-Scale Related Researches

9434 (五) PM320~500

王忠茂 (台灣師範大學化學系教授)

Photoelectrochemistry on Zeolites

94311 (五) PM320~500

陳皓君 (中正大學化學暨生物化學系教

授)

Damage of DNA and ProteinsReactions and Analysis

94325 (五) PM320~500

裘性天 (交通大學應用化學系教授)

Growth of Inorganic Solids at the Interphase

9448 (五) PM320~500

周禮君 (中正大學化學暨生物化學系教

授)

Biosensors

94415 (五) PM320~500

葉晨聖 (成功大學化學系教授)

NanomaterialsMetal and Metal Oxide

94422 (五) PM320~500

林萬寅 (台灣大學化學系教授)

Mechanism and Chemiluminescence of Microperoxidase-Catalyzed Reactions

94429 (五) PM320~500

陳暉 (中央大學化材系教授)

均一粒徑高分子微粒子的製

備與其在光子晶體上之應用

9456 (五) PM320~500

黃賢達 (清華大學化學系教授)

Simultaneous Determination of Trace Elements in Urine by GFAAS

94520 (五) PM320~500

楊吉水 (中央大學化學系副教授)

The Photochemistry of N-Aryl-Substituted trans-4-aminostilbenes

94527 (五) PM320~500

蔡世榮 (工研院化工所高分子技術組

正研究員兼組長)

機能性染料之微波合成與應

9463 (五) PM320~500

陳幹男 (淡江大學化學系教授)

Curing Reaction and Functionalization of Agueous-based Polyurethane

地點科技一館 第一演講廳

- 13 -

朝陽科技大學應用化學系

93 學年度第(二)學期演講公告

未特別註明者演講地點為圖書館一樓演講廳

(學期中演講增刪或更新請以即期演講公告為準)

日期 時間 演 講 者 講 題

31

(二) 130 PM

阮若屈 教授

(中央大學化學工程與材料工

程學系)

Quantum Dot Biotechnology

38

(二) 130 PM

韓肇中 博士

(中央研究院原子與分子科學

研究所)

Diamond New Biomedical Material for the Post-genomic Era

329

(二) 130 PM

孫世勝 博士

(中央研究院化學研究所)

Fluorescent Conjugated Polymer-Based Chemosensors

426

(二)

130 PM

(教學大樓

T1-207)

洪豐裕 教授

(中興大學化學系系主任)

Palladium Catalyzed Coupling Reactions Using Cobalt-Containing Bulky Phosphine Ligands

503

(二)

130 PM

(教學大樓

T1-207)

許嘉生 董事長

(穀盛股份有限公司) 未定

531

(二) 130 PM

洪政雄 教授

(彰化師範大學化學系) 未定

67

(二) 130 PM

何佳安 教授

(暨南國際大學應用化學系)

Applications of Liposomes in Biomedicine and Diagnostics

0614

(二) 130 PM

吳立真 教授

(暨南國際大學應用化學系)未定

- 14 -

台大化學系暨化學研究推動中心

93 學年度第(二)學期演講公告

未特別註明者演講地點為浦大邦講堂

(學期中演講增刪或更新請以即期演講公告為準)

日期 演 講 者 講 題

推薦者

221 (一)

330

Prof Jean-Franccedilois CARPENTIER

(Universiteacute de Rennes 1)

Lanthanide Complexes Incorporating Fluorenyl-based Ligands Unusual Bonding

Modes and Unique initiators for syndiospecific styrene polymerization

陳竹亭 教授

222 (二)

400

Dr Hung-Wen Li (Mcgill Chemistry Canada)

Single-Molecule Mechanistic Study of DNA Repair Enzymes

陳竹亭 教授

223 (三)

330

(化四)

Dr Tsang Chi-Wing (Research Associate Univ of

British Columbia) Utilizing P=C bonds in Polymer Science

劉緒宗 教授

224 (四)

200

Prof Yong Hae Kim Distinguished Professor of

KAIST Dept of Chemistry Korea

Dramatic Stereofacial Control in Asymmetric Syntheses

陸天堯 教授

225 (五)

330

黃乃正 (香港中文大學)

The Chemistry of Hydroxytetraphenylenes

陸天堯 教授

31 (二)

200

Prof Seebach Dieter Synthesis and Structures of β-Peptides

陸天堯 教授

33 (四)

200

(會議室)

Dr Sarah Thomas Dr Robert Parker

Dr David Barr (英國皇家學會)

TBA

陸天堯 教授

33 (四)

315

(化四)

Prof Yoshito Takeuchi (Department of Chemistry

Faculty of ScienceKanagawa University)

Organogermanium ChemistrymdashA Wonderland of Heteroatom Chemistry

陳竹亭 教授

- 15 -

日期 演 講 者 講 題

推薦者

33 (四)

415

(化四)

Prof Wasuke Mori (Department of Chemistry

Faculty of ScienceKanagawa University)

Microporous Materials of Metal Carboxylates Gas-occlusion Properties Inclusion Complex

Formation with Organic Polymer and Catalytic Activities for Hydrogenation of Olefins

陳竹亭 教授

345 (五六)

全日

台灣瑞士雙邊有機合成研討會

陸天堯 教授

38 (二)

200

Prof Hung-Wen Liu Learning natures strategies for making unusual sugars

陸天堯 教授

310 (四)

200

Prof Luisa De Cola (Chair of Molecular

Photonic Materials Van t Hoff Institute for Molecular

Sciences (HIMS) Univ of Amsterdam The

Netherlands)

Covalently and NonCovalently Linked Molecular Wires

陸天堯 教授

310 (四)

330

Prof Jeffery I Zink (UCLA)

Nano-Structured Sol-Gel Materials and Functional Molecular Machines

陳昭岑 教授

317 (四)

330

Prof Atsunori Mori (東京工業大學資源化學研

究所副教授)

Transition Metal-Catalyzed Reactions of Alkynes and Heteroaromatic

Compounds

陸天堯 教授

325 (五)

330

Prof G Mehta TBA

陸天堯 教授

4 8 (五)

330

Prof Richard Taylor TBA

陸天堯 教授

415 (五)

200

Prof Oshio (Tsukuba University)

High-Spin molecules toward single-molecule magnets

彭旭明 教授

415 (五)

330

黃迪靖 博士 (國家同步輻射研究中心副

研究員)

Charge and Orbital Ordering in Transition-Metal Oxides

劉如熹 教授

- 16 -

日期 演 講 者 講 題

推薦者

422 (五)

330

林建村 博士 (中研院化學所)

Electro-optic Materialsfrom OLEDs to Photovoltaics

陸天堯 教授

429 (五)

330

Prof Vijay nair TBA

陸天堯 教授

56 (五)

330

林寬鋸 教授 (中興大學化學系)

1D-Semiconducting Metal OxidesSynthesis and Applications

陸天堯 教授

520 (五)

330

許千樹 教授 (交通大學應用化學系)

Nanostructure Enhanced Polymer Light Emitting Diodes

陸天堯 教授

63 (五)

330

孫仲銘 教授 (東華大學化研所)

微波合成抑制新生血管增生先導藥物分子庫

陸天堯 教授

610 (五)

330

蔡明道 博士 (中央研究院基因體中心)

TBA

陸天堯 教授

- 17 -

93 學年第二學期 國立東華大學化學系專題演講

週次 日期 演講者 演講題目 邀請者

3 311 呂宗昕 教授 台灣大學化工系

奈米科技與奈米世界 羅幼旭

4 318 林志彪 教授 東華大學化學系

TBA 化學系

5 325 曹英彥 博士 中油公司

Preparation Characterization and Applications of Zeolite-supported

Subnano Metallic Particles

林志彪

7 48 陳慶年 博士 NIH (USA)

Magnetic Resonance Imaging ndash from a chemistrsquos perspective

錢嘉琳

8 415 Dr Wei Gang

Metal Based Self-Assembly in Supramolecular Chemistry

化學系

9 422 裘性天 教授 交通大學應化系

Growth of Inorganic Solids at the Interphase

林志彪

13 520 王雲銘 教授 高醫應化系

Synthesis and characterization of bio-activated contrast agents for Magnetic Resonance Imaging

劉鎮維

14 527 Prof John Z H ZhangNew York Univ

New Quantum Computational Study of Proteins

張秀華

15 63 林震煌 教授 臺灣師範大學化學系

毛細管電泳線上濃縮技術的發展

與應用 何彥鵬

16 610 李衍彰 教授 彰化師範大學化學系

Synthesis of the natural products as anti-tumor agents

註每週五下午 310pm-500pm

理二講堂

- 18 -

淡江大學化學系 93 學年度第(二)學期演講公告 演講時間每週一下午 210~400演講地點教育館 (Q-409)

日期 時間 演講者 演講題目

221(一) 210~400 傅達勳 危險物及毒化物之認識與運作

307(一) 210~400 Prof Yoshito Takeuchi(Kanagawa University)

Organogermanium Chemistry-A Wonderland of Heteroatom Chemistry

314(一) 210~400 張增輝教授 (美國紐約大學)

321(一) 210~400 施增廉 (淡江大學化學系)

Syntheses of a New Trihydroxy Piperidine Derivative Quercitols and Azepanes for Glycosidase Inhibitors from D-(-)-quinic Acid

328(一) 210~400 陳振漢

(國防醫學院生物晶片

中心)

蛋白質體技術之發展與應用

418(一) 210~400 林唯芳教授 (台大材料系)

分子奈米材料及元件應用

425(一) 210~400 刁維光副教授 (交大應化所)

紫質分子在奈米結構中的光物理與光化學

502(一) 210~400 楊禮明教授 (中國醫藥研究所)

509(一) 210~400 劉廣定教授 (台大化學系)

永續化學與液晶製備

516(一) 210~400 林倫年副研究員 (台大凝態中心)

523(一) 210~400 翁啟惠院士 (中研院)

化學生物與後基因時代之研究

530(一) 210~400 曾惠芳助理教授 (暨大應化系)

毛細管電泳在生化分析上的應用

606(一) 210~400 侯敦仁助理教授 (中央大學化學系)

合環歧化(Ring-Closing Metathesis)之合成

應用

613(一) 210~400 謝明發研究員 (工研院)

The polymeric nano-particles for drug delivery vehicles

- 19 -

中原大學化學系

93 學年度下學期-「學術專題演講」日程表

時間每週三 1500-1630

地點理學館 1樓講堂

主持人葉華光老師 聯絡電話03-2653305 日期 講員 標題 負責

實驗室

223 休息

32 中研院化學研究

所孫世勝博士 Fluorescent Conjugated Polymer-Based Chemosensors

楊千金老師

Lab

39 休息

316 中興大學化學系

林寬鋸教授

未定 葉華光老師

Lab

323 休息 (運動會)

330 南台科技大學

林鴻儒教授 Porous Scaffolds for Bone Tissue Engineering

李世琛老師

Lab

46 休息 (校外實習週)

413 台大醫學院

藥學研究所

李水盛教授

未定 蔡宗燕老師

Lab

420 休息 (期中考)

427 國立陽明大學

周成功教授 How to Struggle with a Novel Gene in the Genome Era

葉瑞銘老師

Lab

54 東吳大學

傅明仁教授 Drug analysis by LC-ES-MS

蔡祐輔老師

Lab

511 休息

518 休息

525 國立成功大學

林弘萍教授

中孔洞氧化矽和碳材料合成與應用 江彰吉老師

Lab

61 華邦電子

周良奎經理

The application of CMP in IC Fabrication

陳玉惠老師

Lab

68 清華大學化學系

劉行讓教授 Reductive Decyanation A Powerful Tool in Organic Synthesis

黃悉雅老師

Lab

615 休息

備註1 請各場次負責的實驗室於演講前做好教具測試 2 自本學期起各場次負責之實驗室僅提供茶水不再準備點心

- 20 -

國立嘉義大學應用化學系 九十三學年度第二學期演講公告

(學期中演講增刪或更新請以即期演講公告為準)

日期 時間 演 講 者 講 題

223

(三) pm1520

~1700 陳勁初主任 (葡萄王生技中心主任)

生技保健食品開發

302

(三) pm1520

~1700 陳泊余教授(高雄醫學大學 醫藥暨應用化學系)

The application of ionic liquids in electrochemistry

316

(三) Pm1520

~1700 陳焜銘教授 (師範大學化學系)

The development of camphor derived chiral ligands for asymmetric reactions

323

(三) pm1520

~1700 何佳安教授 (暨南大學化學系)

Liposome in Diagnostic Microbiology

330

(三) pm1330

~1510 夏克山博士 (國家衛生研究院)

Discovery of New Stem Cell Mobilizers Antagonizing CXCR4 Chemokine Receptor

406

(三) pm1520

~1700 陳幹男教授 (淡江大學化學系)

Hybridization of Aqueous-based Polymers

413

(三) pm1520

~1700 汪炳鈞教授 (清華大學化學系)

Asymmetric Synthesis Using Camphor Derived Chiral Ligands

504

(三) pm1520

~1700 林震煌教授 (師範大學化學系)

毛細管電泳線上濃縮技術的發展

與應用

427

(三) pm1520

~1700 劉英麟教授 (中原大學化工系)

應用二氧化矽奈米粒子於高分子

材料改質

註演講地點在工程館四樓視聽教室

- 21 -

中 央 研 究 院 化 學 研 究 所 INSTITUTE OF CHEMISTRY ACADEMIA SINICA

學 術 演 講 (Chemistry Colloquium)

0106 (四) 1530

唐本忠教授 香港科技大學 (推薦人 陶雨台教授) Light-Emitting Polyenes Polyynes and Polyarylenes

0110 (一) 1530

Prof Rudy Marcus California Institute of Technology USA (推薦人 許昭萍教授) Puzzling phenomena in the fluorescence intermittency of single quantum dots theory and experiment (地點 周大紓講堂)

0114 (五) 1530

Prof Samson A Jenekhe University of Washington USA (推薦人 陶雨台教授) Organic Electronics and Optoelectronics

0125 (二) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Design and Synthesis of Tumor-Targeting Boron Molecules

0126 (三) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Chemistry of Bis-π-allylpalladium for Organic Synthesis

0127 (四) 1530

Prof Teruo Shinmyozu Kyushu University Japan (推薦人 周大新教授) Synthesis Structure and Photochemical Properties of [3n]Cyclophanes (n = 2-6)

0129 (六) 功能性有機化合物的分子建構 小型研討會

0202 (三) 1530

曾志明教授 國立中興大學 (推薦人 陳錦地教授) Addressing grand energy challenges through advanced materials

0203 (四) 1030

江明錫博士 國立清華大學 (Interview Talk) f-ion speciation and d-f interaction toward electrocatalysis LnAn-polyoxotungstates

0218 (五) 1030

Dr Tiow-Gan Ong University of Ottawa Canada The stories of rationally designing a Guanidinate transition metal Complexes and constructing a Stable Carbene with a Novel Topology and Electronic Framework Their Role in Catalysis

0221 (一) 1030

Dr Chi-Wing Tsang University of British Columbia Canada (Interview Talk) Carborane - A New Weakly Coordinating Anion Utilizing P=C bonds in Polymer Chemistry

0225 (五) 1030

Dr Chen-Hsiung Hung National Changhua University of Education Metal Assisted Small Molecule Activations Using Porphyrin Analogues or NNO-Scorpionates as Ligands

0226 (六) 周大紓先生紀念研討會 (Ta-shue Chou Memorial Lecture) (地點 周大紓講堂)

0301 (二) 1030

Dr Wen-Yuan Hsieh Purdue University Synthesis Characterization of monomeric and dimeric Mn complexes

0302 (三) 1400

Prof Peter Chen Swiss Federal Institute of Technology Zurich Switzerland (推薦人 陸天堯教授) Organometallic Chemistry by ESI-MSMS High Valent Oxo Complexes Diolates Metallaoxetanes and Carbenes

0302 (三) 1530

Dr Sarah Thomas Royal Society of Chemistry Publishing Why Where and How (地點 周大紓講堂)

- 22 -

0303 (四) 1430

Prof Pierre Vogel Swiss Federal Institute of Technology Lausanne Switzerland (推薦人 陸天堯教授) Carbohydrate Mimetics Synthesis of C-Disaccharides Imino-C-disaccharides and Analogs and their Biological Properties

0303 (四) 1530

Prof Jay S Siegel University of Zurich Switzerland (推薦人 陸天堯教授) Cheap Fast and Out of Control Rationale for Combinatorial Chemistry

0304-05

第一屆台灣-瑞士雙邊有機合成研討會 Joint Swiss-Taiwanese Meeting ldquoFrontiers in Organic Synthesisrdquo (地點 國立台灣大學 原分所浦大邦演講廳)

0309 (三) Symposium

ldquoPhysical Studies on Photo- or Electron-responsive Materials 0310(四)

1400 陳月枝教授 國立交通大學 (推薦人 陳玉如教授) Title to be annouced

0324(四) 1530

王惠鈞所長 中研院生化所 (推薦人 陳長謙所長) Title to be announced

0407(四) 1530

Prof Richard Taylor University of York (推薦人 陸天堯教授) Title to be announced

0421(四) 1530

Prof Biswanath Das Indian Institute of Chemical Technology India (推薦人 畢爾曼教授) Investigation on Some Fundamental Reactions

地點A108 會議室 Revised on February 21 2005

- 23 -

國立彰化師範大學化學系九十三學年下學期專題演講一覽表

時間 演講者 服務單位 演講題目 地點 推薦人

411

pm 200 林建村

中央研究

院化學所 Electro-optic Materials from OLEDs to photovoltaics

藝薈館

系演講廳 李漢文

418

pm200 梁博煌

中央研究

院生化所 Anti-infectious drug discovery藝薈館

系演講廳 李衍彰

425

pm200 傅傳博

暨南大學

應化系 Development of Magnetic Separation for Analytical Chemistry

藝薈館

系演講廳 林秋薰

59

pm 200 蔡易州

清華大學

化學系 The power of Meal-Metal Multiple bonds

藝薈館

系演講廳 黃瑞賢

516

pm200 孫仲銘

東華大學

化學系 微波抗腫瘤藥物分子庫合成藝薈館

系演講廳 李衍彰

523

pm200 許昭萍

中央研究

院化學所 Electronic Coupling for electron transfer methods and applications

藝薈館

系演講廳 胡景瀚

66

pm200 林敬堯暨南大學

應化系

Tailoring ethynyl substituted porphyrins for photonic electrochemical and nano-related researches

藝薈館

系演講廳 洪政雄

613

pm200 莊琇惠

高雄大學

應化系 Chemical Vapor Deposition of Hafnium Oxonitride as High-k Materials

藝薈館

系演講廳 黃瑞賢

- 24 -

- 25 -

- 26 -

- 27 -

- 28 -

- 29 -

- 30 -

國科會化學推動中心補助學術研討會成果報告表

會議名稱94 年第一次國科會分析化學小組研討會

舉辦日期民國 94 年 2 月 19 日 至 民國 94 年 2 月 19 日

主辦機構國立中醫藥研究所國科會分析化學小組主持人蔡東湖傅明仁

舉辦地點國立中醫藥研究所 聯絡電話 02-2820 1999 ext 8091

出席人數工業界 人學術界(含學生) 110 人 共 110 人

會議重要成果 (如篇幅不足另以A4白紙填寫)

會議經過及議程

0900~0930 報到 0930~0940 主席國科會分析化學小組召集人傅明仁教授 0940~0950 致歡迎詞吳天賞教授 國立中醫藥研究所所長 0950~1040 專題演講食品中 acrylamide 之分析 周薰修博士 藥物食品檢驗局 主持人傅明仁教授 (東吳大學化學系) 1040~1110 茶點時間 1110~1200 專題演講哺乳動物體內 D-乳酸的分析 李仁愛助理教授 台北醫學大學藥學系

主持人蔡東湖教授 (國立中醫藥研究所) 1200~1320 中餐休息 1320~1410 專題演講利用分子轉印技術在人體肝臟細胞中重金屬中毒的飛 行式二次離子質譜儀(TOF-SIMS)離子影像分析研究 麥富德助理教授 中山醫學大學應用化學系

主持人李茂榮教授 (中興大學化學系) 1410~1500 專題演講具奈米結構之鋰電池電極材料研製與電化學析 劉茂煌助理教授 輔大化學系 主持人何國榮教授 (台灣大學化學系) 1500~1530 茶點時間 1530~1630 綜合座談跨領域幹細胞整合計畫

陳甫州教授 台中榮民總醫院 1630- 會議結束

- 31 -

重要收穫及心得

藉由此次會議接觸到來自各方的學術研究同仁也許各自專長的領域不盡相同但

對於分析化學的研究與應用有著彼此相同的努力目標相互的討論及觀摩不僅僅是成果

的分享更進一步帶來跨領域的合作靈感與契機

近來科學的發展已不再只靠一個人或一間實驗室單打獨鬥不同領域的結合發展漸

成顯學資訊與技術的交流也許會產生比預期更巨大的突破以生物科學這一個大的範

疇為例若缺少化學物理與數學的助益恐怕連傳統遺傳學理論都無法發展以古視今

現今各個次領域都擁有其各自的專長就跨領域幹細胞整合計畫而言只包含分生生理

的人才絕對不足分析化學甚至藥學的知識與技術也有其立足之地國科會分析化學小組

研討會就提供了這麼一個交流與合作的園地結合彼此的力量共同思考更遠大的未來 建議

首先先謝謝國科會化學推動中心的支持國科會分析化學小組的努力及國立中醫藥

研究所的配合使此次會議圓滿完成由於報名踴躍就一個一百多人參與的會議來說

此次補助的經費似乎稍嫌不足扣除演講者的講費及與會者的午餐其餘所剩無幾故將

來補助款若能依參與人數的多寡而稍做調整相信主辦機構能夠為與會者提供更好的服務

- 32 -

訪問教授訪問報告表

姓名 Prof Jean-Franccedilois Carpentier

訪問日期民國 94 年 2 月 20 日 至 民國 94 年 2 月 24 日

接待機構 清華大學化學系 接待人 季昀 教授 聯絡電話 (03) 5712956

訪問重要成果 (如篇幅不足另以A4白紙填寫)

1訪問經過

Prof Jean-Franccedilois Carpentier 於 20 日晚間抵達台灣經過一個晚上的短暫

休息星期一早晨赴台大化學系訪問中午與學生共進午餐交換研究心得並瞭解

該校研究狀況星期二赴淡江化學系訪問中午與晚間分別與學生與教員共進午晚

餐交換研究心得並瞭解該校研究近況並談及如何共同申請中法國際合作專案

星期三赴清大化學系訪問中午與該系教員共進午餐交換研究心得並瞭解該校研

究狀況晚間則回返回台北參觀一年一度的台北國際燈會星期四上午安排私人的

自由活動並赴台北市旅遊景點參訪晚間搭乘飛機離台

2演講行程及概要

2 月 21 日台灣大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 22 日淡江大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 23 日清華大學化學系Towards Green Plastics via Stereoselective Polymerization

of rac-Lactide with Discrete Group 3 Metal Complexes

3 重要收獲及心得

瞭解國際學術界在過渡金屬錯合物鑭系稀土錯合物的合成化學與催化反應方面的前

瞻進展狀態

並為建立合適管道執行未來國際學術合作促進國與國間的人員互動人員的相互

了解而努力

4其他意見

- 33 -

訪問教授訪問報告表

- 34 -

訪問教授訪問報告表

- 35 -

訪問教授訪問報告表

姓名Luis A Marky 教授 University of Nebraska Medical Center

訪問日期民國九十三年十二月四日至十一日

接待機構中央研究院 接待人甘魯生 聯絡電話02 2789 8550

訪問重要成果

訪問經過

Luis Marky 教授早年追隨熱力學

大師 Ken Breslauer之後為紐約

市大學及內布拉斯加州立大學

網羅是一位核酸熱力學專家

其論文發表在 J Am Chem Soc

Biochemistry Nucleic Acids Res

Methods Enzymol等知名國際專業雜誌上Marky 教授早在博士後研究員時即與本

人相識研究領域也相近一直有和他合作共同研究核酸的性質及結構的想法

他也對我們台灣非常友善此次有幸得到化學中心的資助得以邀請 Marky 來台

一方面洽談合作事誼一方面和國內學者及學生會談增進交流宣導有關核酸方

面的研究Marky 教授在短短一週內訪問了四所學術機構也以四個不同的題材

發表了四場學術演講次數相當密集把這次訪問推到最高峰幸好 Marky 教授

並不以為苦所以是一次成功的訪問 演講行程及概要

十二月四日星期六抵台

十二月五日星期日轉赴花蓮

十二月六日星期一

訪問國立東華大學

以ldquoDNA Hairpin Loops Folding Ligand Binding and Hydrationrdquo為題發表專題演講

- 36 -

十二月七日星期二

訪問中央研究院

以rdquoThermodynamics of DNA Triplexes Contributions of Base-Triplet Stacks and Base

Methylationrdquo為題發表專題演講

十二月八日星期三

訪問國立中正大學

以ldquoThermodynamics of DNA Triplexes Containing C-glycosides Basesrdquo為題發表專題

演講

十二月九日星期四

參觀故宮博物院

十二月十日星期五

訪問國立清華大學

以ldquoSherlock Holmesrsquos Adventures with Nucleic Acidsrdquo 為題發表專題演講

十二月十一日離台

重要收獲及心得

Marky 教授在信中稱他對四所訪問的學術機構中央研究院國立東華大學國

立中正大學及國立清華大學的教學及研究都有深刻的印也意外的面試了一位東

華生科所的學生準備收為研究生這是一件互惠之事Marky 教授也非常希望

能和我們合作共同研究

其他意見

(請見 Luis Marky 教授信)

- 37 -

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 10 -

輔仁大學化學系

九十三學年度下學期專題演講時間表

日期 演講者 服務單位 演講題目

317 陳重裕 工研院化工所 化學品應用於光電產業的趨勢

與機會

324 周良奎 華邦電子 The application of CMP(Chemical Mechanical Polish) in IC fabrication

331 鍾崇燊 清華大學化學系 如何培育學生的化學創造力

407 王家麟 中央大學化學系 空氣中氣態有機汙染物的自動

量測與空氣汙染問題

414 陳錦地 中研院化學所 Maleimide Fluorophores and their Copolymers for Red Organic Light-Emitting Diodes

428 何子樂 交大應化所 Synthesis Design by Symmetry Considerations amp Chemical Riddles

505 林震煌 師大化學系 毛細管電泳線上濃縮堆積技術

的發展與應用 時間 星期四下午 140 地點 化學系 CH118 教室

- 11 -

國立中山大學化學系 九十三學年度第二學期專題演講

( 聯絡電話化學系 TEL(07)5252000 轉 3901) 日期時間 主 講 人 題 目 連絡人

940223 1410-1500

杜慶光 博士 美國佛羅里達大學藥學系

Proton Transfer in Carbonic Anhydrases 黃宣容

940302 1410-1500

陳生明 教授 台北科技大學化工系

薄膜修飾電極電催化及生物電化學 黃宣容

940309 1410-1500

蕭志農 博士

神隆股份有限公司 Chromatography in Process Chemistry 張彥誠

940316 1410-1500

張增輝 教授

美國紐約大學 New Method for Quantum Chemical Study of Proteins 陳國美

940323 1410-1500

洪文俊 所長 中山生醫所

Chemistry and Biology 謝建台

940330 1410-1500

徐秀福 教授 淡江化學系

液晶材料設計-從化學家的觀點切入 王志偉

940413 1410-1500

王先知 副所長 工研院化工所

工研院的奈米生醫研發 陳國美

940420 1410-1500

陸天堯 教授 台大化學系

Helical Double Stranded Polymers 周金興

940504 1410-1500

陳仲瑄 研究員 中研院基因體研究中心

Ultrasensitive Detection Technologies and their Biomedical Applications 黃宣容

940511 1410-1500

李漢文 教授 彰師大化學系

The Chemistry of Phosphine-functionalized N-heterocyclic

Carbene

梁蘭昌

940528 1410-1500

蕭世裕 教授 成大化學系

Preparation of Magnetic Nanoparticles as Drug

Carriers

周金興

940601 1410-1500

林達顯 教授 陽明大學生化所

Structural Determination of Apolipoprotein E and β-amyloid Peptide

丁尚武

演講地點理小劇場(理 1001)

- 12 -

國立暨南國際大學 應用化學系 93 學年度第二學期 演講公告

日期 時間 演講者 講題

94225 (五) PM320~500

林敬堯 (暨南大學應化系助理教授)

Tailoring Ethynyl Substituted Porphyrins for Photonic Electrochemical and Nano-Scale Related Researches

9434 (五) PM320~500

王忠茂 (台灣師範大學化學系教授)

Photoelectrochemistry on Zeolites

94311 (五) PM320~500

陳皓君 (中正大學化學暨生物化學系教

授)

Damage of DNA and ProteinsReactions and Analysis

94325 (五) PM320~500

裘性天 (交通大學應用化學系教授)

Growth of Inorganic Solids at the Interphase

9448 (五) PM320~500

周禮君 (中正大學化學暨生物化學系教

授)

Biosensors

94415 (五) PM320~500

葉晨聖 (成功大學化學系教授)

NanomaterialsMetal and Metal Oxide

94422 (五) PM320~500

林萬寅 (台灣大學化學系教授)

Mechanism and Chemiluminescence of Microperoxidase-Catalyzed Reactions

94429 (五) PM320~500

陳暉 (中央大學化材系教授)

均一粒徑高分子微粒子的製

備與其在光子晶體上之應用

9456 (五) PM320~500

黃賢達 (清華大學化學系教授)

Simultaneous Determination of Trace Elements in Urine by GFAAS

94520 (五) PM320~500

楊吉水 (中央大學化學系副教授)

The Photochemistry of N-Aryl-Substituted trans-4-aminostilbenes

94527 (五) PM320~500

蔡世榮 (工研院化工所高分子技術組

正研究員兼組長)

機能性染料之微波合成與應

9463 (五) PM320~500

陳幹男 (淡江大學化學系教授)

Curing Reaction and Functionalization of Agueous-based Polyurethane

地點科技一館 第一演講廳

- 13 -

朝陽科技大學應用化學系

93 學年度第(二)學期演講公告

未特別註明者演講地點為圖書館一樓演講廳

(學期中演講增刪或更新請以即期演講公告為準)

日期 時間 演 講 者 講 題

31

(二) 130 PM

阮若屈 教授

(中央大學化學工程與材料工

程學系)

Quantum Dot Biotechnology

38

(二) 130 PM

韓肇中 博士

(中央研究院原子與分子科學

研究所)

Diamond New Biomedical Material for the Post-genomic Era

329

(二) 130 PM

孫世勝 博士

(中央研究院化學研究所)

Fluorescent Conjugated Polymer-Based Chemosensors

426

(二)

130 PM

(教學大樓

T1-207)

洪豐裕 教授

(中興大學化學系系主任)

Palladium Catalyzed Coupling Reactions Using Cobalt-Containing Bulky Phosphine Ligands

503

(二)

130 PM

(教學大樓

T1-207)

許嘉生 董事長

(穀盛股份有限公司) 未定

531

(二) 130 PM

洪政雄 教授

(彰化師範大學化學系) 未定

67

(二) 130 PM

何佳安 教授

(暨南國際大學應用化學系)

Applications of Liposomes in Biomedicine and Diagnostics

0614

(二) 130 PM

吳立真 教授

(暨南國際大學應用化學系)未定

- 14 -

台大化學系暨化學研究推動中心

93 學年度第(二)學期演講公告

未特別註明者演講地點為浦大邦講堂

(學期中演講增刪或更新請以即期演講公告為準)

日期 演 講 者 講 題

推薦者

221 (一)

330

Prof Jean-Franccedilois CARPENTIER

(Universiteacute de Rennes 1)

Lanthanide Complexes Incorporating Fluorenyl-based Ligands Unusual Bonding

Modes and Unique initiators for syndiospecific styrene polymerization

陳竹亭 教授

222 (二)

400

Dr Hung-Wen Li (Mcgill Chemistry Canada)

Single-Molecule Mechanistic Study of DNA Repair Enzymes

陳竹亭 教授

223 (三)

330

(化四)

Dr Tsang Chi-Wing (Research Associate Univ of

British Columbia) Utilizing P=C bonds in Polymer Science

劉緒宗 教授

224 (四)

200

Prof Yong Hae Kim Distinguished Professor of

KAIST Dept of Chemistry Korea

Dramatic Stereofacial Control in Asymmetric Syntheses

陸天堯 教授

225 (五)

330

黃乃正 (香港中文大學)

The Chemistry of Hydroxytetraphenylenes

陸天堯 教授

31 (二)

200

Prof Seebach Dieter Synthesis and Structures of β-Peptides

陸天堯 教授

33 (四)

200

(會議室)

Dr Sarah Thomas Dr Robert Parker

Dr David Barr (英國皇家學會)

TBA

陸天堯 教授

33 (四)

315

(化四)

Prof Yoshito Takeuchi (Department of Chemistry

Faculty of ScienceKanagawa University)

Organogermanium ChemistrymdashA Wonderland of Heteroatom Chemistry

陳竹亭 教授

- 15 -

日期 演 講 者 講 題

推薦者

33 (四)

415

(化四)

Prof Wasuke Mori (Department of Chemistry

Faculty of ScienceKanagawa University)

Microporous Materials of Metal Carboxylates Gas-occlusion Properties Inclusion Complex

Formation with Organic Polymer and Catalytic Activities for Hydrogenation of Olefins

陳竹亭 教授

345 (五六)

全日

台灣瑞士雙邊有機合成研討會

陸天堯 教授

38 (二)

200

Prof Hung-Wen Liu Learning natures strategies for making unusual sugars

陸天堯 教授

310 (四)

200

Prof Luisa De Cola (Chair of Molecular

Photonic Materials Van t Hoff Institute for Molecular

Sciences (HIMS) Univ of Amsterdam The

Netherlands)

Covalently and NonCovalently Linked Molecular Wires

陸天堯 教授

310 (四)

330

Prof Jeffery I Zink (UCLA)

Nano-Structured Sol-Gel Materials and Functional Molecular Machines

陳昭岑 教授

317 (四)

330

Prof Atsunori Mori (東京工業大學資源化學研

究所副教授)

Transition Metal-Catalyzed Reactions of Alkynes and Heteroaromatic

Compounds

陸天堯 教授

325 (五)

330

Prof G Mehta TBA

陸天堯 教授

4 8 (五)

330

Prof Richard Taylor TBA

陸天堯 教授

415 (五)

200

Prof Oshio (Tsukuba University)

High-Spin molecules toward single-molecule magnets

彭旭明 教授

415 (五)

330

黃迪靖 博士 (國家同步輻射研究中心副

研究員)

Charge and Orbital Ordering in Transition-Metal Oxides

劉如熹 教授

- 16 -

日期 演 講 者 講 題

推薦者

422 (五)

330

林建村 博士 (中研院化學所)

Electro-optic Materialsfrom OLEDs to Photovoltaics

陸天堯 教授

429 (五)

330

Prof Vijay nair TBA

陸天堯 教授

56 (五)

330

林寬鋸 教授 (中興大學化學系)

1D-Semiconducting Metal OxidesSynthesis and Applications

陸天堯 教授

520 (五)

330

許千樹 教授 (交通大學應用化學系)

Nanostructure Enhanced Polymer Light Emitting Diodes

陸天堯 教授

63 (五)

330

孫仲銘 教授 (東華大學化研所)

微波合成抑制新生血管增生先導藥物分子庫

陸天堯 教授

610 (五)

330

蔡明道 博士 (中央研究院基因體中心)

TBA

陸天堯 教授

- 17 -

93 學年第二學期 國立東華大學化學系專題演講

週次 日期 演講者 演講題目 邀請者

3 311 呂宗昕 教授 台灣大學化工系

奈米科技與奈米世界 羅幼旭

4 318 林志彪 教授 東華大學化學系

TBA 化學系

5 325 曹英彥 博士 中油公司

Preparation Characterization and Applications of Zeolite-supported

Subnano Metallic Particles

林志彪

7 48 陳慶年 博士 NIH (USA)

Magnetic Resonance Imaging ndash from a chemistrsquos perspective

錢嘉琳

8 415 Dr Wei Gang

Metal Based Self-Assembly in Supramolecular Chemistry

化學系

9 422 裘性天 教授 交通大學應化系

Growth of Inorganic Solids at the Interphase

林志彪

13 520 王雲銘 教授 高醫應化系

Synthesis and characterization of bio-activated contrast agents for Magnetic Resonance Imaging

劉鎮維

14 527 Prof John Z H ZhangNew York Univ

New Quantum Computational Study of Proteins

張秀華

15 63 林震煌 教授 臺灣師範大學化學系

毛細管電泳線上濃縮技術的發展

與應用 何彥鵬

16 610 李衍彰 教授 彰化師範大學化學系

Synthesis of the natural products as anti-tumor agents

註每週五下午 310pm-500pm

理二講堂

- 18 -

淡江大學化學系 93 學年度第(二)學期演講公告 演講時間每週一下午 210~400演講地點教育館 (Q-409)

日期 時間 演講者 演講題目

221(一) 210~400 傅達勳 危險物及毒化物之認識與運作

307(一) 210~400 Prof Yoshito Takeuchi(Kanagawa University)

Organogermanium Chemistry-A Wonderland of Heteroatom Chemistry

314(一) 210~400 張增輝教授 (美國紐約大學)

321(一) 210~400 施增廉 (淡江大學化學系)

Syntheses of a New Trihydroxy Piperidine Derivative Quercitols and Azepanes for Glycosidase Inhibitors from D-(-)-quinic Acid

328(一) 210~400 陳振漢

(國防醫學院生物晶片

中心)

蛋白質體技術之發展與應用

418(一) 210~400 林唯芳教授 (台大材料系)

分子奈米材料及元件應用

425(一) 210~400 刁維光副教授 (交大應化所)

紫質分子在奈米結構中的光物理與光化學

502(一) 210~400 楊禮明教授 (中國醫藥研究所)

509(一) 210~400 劉廣定教授 (台大化學系)

永續化學與液晶製備

516(一) 210~400 林倫年副研究員 (台大凝態中心)

523(一) 210~400 翁啟惠院士 (中研院)

化學生物與後基因時代之研究

530(一) 210~400 曾惠芳助理教授 (暨大應化系)

毛細管電泳在生化分析上的應用

606(一) 210~400 侯敦仁助理教授 (中央大學化學系)

合環歧化(Ring-Closing Metathesis)之合成

應用

613(一) 210~400 謝明發研究員 (工研院)

The polymeric nano-particles for drug delivery vehicles

- 19 -

中原大學化學系

93 學年度下學期-「學術專題演講」日程表

時間每週三 1500-1630

地點理學館 1樓講堂

主持人葉華光老師 聯絡電話03-2653305 日期 講員 標題 負責

實驗室

223 休息

32 中研院化學研究

所孫世勝博士 Fluorescent Conjugated Polymer-Based Chemosensors

楊千金老師

Lab

39 休息

316 中興大學化學系

林寬鋸教授

未定 葉華光老師

Lab

323 休息 (運動會)

330 南台科技大學

林鴻儒教授 Porous Scaffolds for Bone Tissue Engineering

李世琛老師

Lab

46 休息 (校外實習週)

413 台大醫學院

藥學研究所

李水盛教授

未定 蔡宗燕老師

Lab

420 休息 (期中考)

427 國立陽明大學

周成功教授 How to Struggle with a Novel Gene in the Genome Era

葉瑞銘老師

Lab

54 東吳大學

傅明仁教授 Drug analysis by LC-ES-MS

蔡祐輔老師

Lab

511 休息

518 休息

525 國立成功大學

林弘萍教授

中孔洞氧化矽和碳材料合成與應用 江彰吉老師

Lab

61 華邦電子

周良奎經理

The application of CMP in IC Fabrication

陳玉惠老師

Lab

68 清華大學化學系

劉行讓教授 Reductive Decyanation A Powerful Tool in Organic Synthesis

黃悉雅老師

Lab

615 休息

備註1 請各場次負責的實驗室於演講前做好教具測試 2 自本學期起各場次負責之實驗室僅提供茶水不再準備點心

- 20 -

國立嘉義大學應用化學系 九十三學年度第二學期演講公告

(學期中演講增刪或更新請以即期演講公告為準)

日期 時間 演 講 者 講 題

223

(三) pm1520

~1700 陳勁初主任 (葡萄王生技中心主任)

生技保健食品開發

302

(三) pm1520

~1700 陳泊余教授(高雄醫學大學 醫藥暨應用化學系)

The application of ionic liquids in electrochemistry

316

(三) Pm1520

~1700 陳焜銘教授 (師範大學化學系)

The development of camphor derived chiral ligands for asymmetric reactions

323

(三) pm1520

~1700 何佳安教授 (暨南大學化學系)

Liposome in Diagnostic Microbiology

330

(三) pm1330

~1510 夏克山博士 (國家衛生研究院)

Discovery of New Stem Cell Mobilizers Antagonizing CXCR4 Chemokine Receptor

406

(三) pm1520

~1700 陳幹男教授 (淡江大學化學系)

Hybridization of Aqueous-based Polymers

413

(三) pm1520

~1700 汪炳鈞教授 (清華大學化學系)

Asymmetric Synthesis Using Camphor Derived Chiral Ligands

504

(三) pm1520

~1700 林震煌教授 (師範大學化學系)

毛細管電泳線上濃縮技術的發展

與應用

427

(三) pm1520

~1700 劉英麟教授 (中原大學化工系)

應用二氧化矽奈米粒子於高分子

材料改質

註演講地點在工程館四樓視聽教室

- 21 -

中 央 研 究 院 化 學 研 究 所 INSTITUTE OF CHEMISTRY ACADEMIA SINICA

學 術 演 講 (Chemistry Colloquium)

0106 (四) 1530

唐本忠教授 香港科技大學 (推薦人 陶雨台教授) Light-Emitting Polyenes Polyynes and Polyarylenes

0110 (一) 1530

Prof Rudy Marcus California Institute of Technology USA (推薦人 許昭萍教授) Puzzling phenomena in the fluorescence intermittency of single quantum dots theory and experiment (地點 周大紓講堂)

0114 (五) 1530

Prof Samson A Jenekhe University of Washington USA (推薦人 陶雨台教授) Organic Electronics and Optoelectronics

0125 (二) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Design and Synthesis of Tumor-Targeting Boron Molecules

0126 (三) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Chemistry of Bis-π-allylpalladium for Organic Synthesis

0127 (四) 1530

Prof Teruo Shinmyozu Kyushu University Japan (推薦人 周大新教授) Synthesis Structure and Photochemical Properties of [3n]Cyclophanes (n = 2-6)

0129 (六) 功能性有機化合物的分子建構 小型研討會

0202 (三) 1530

曾志明教授 國立中興大學 (推薦人 陳錦地教授) Addressing grand energy challenges through advanced materials

0203 (四) 1030

江明錫博士 國立清華大學 (Interview Talk) f-ion speciation and d-f interaction toward electrocatalysis LnAn-polyoxotungstates

0218 (五) 1030

Dr Tiow-Gan Ong University of Ottawa Canada The stories of rationally designing a Guanidinate transition metal Complexes and constructing a Stable Carbene with a Novel Topology and Electronic Framework Their Role in Catalysis

0221 (一) 1030

Dr Chi-Wing Tsang University of British Columbia Canada (Interview Talk) Carborane - A New Weakly Coordinating Anion Utilizing P=C bonds in Polymer Chemistry

0225 (五) 1030

Dr Chen-Hsiung Hung National Changhua University of Education Metal Assisted Small Molecule Activations Using Porphyrin Analogues or NNO-Scorpionates as Ligands

0226 (六) 周大紓先生紀念研討會 (Ta-shue Chou Memorial Lecture) (地點 周大紓講堂)

0301 (二) 1030

Dr Wen-Yuan Hsieh Purdue University Synthesis Characterization of monomeric and dimeric Mn complexes

0302 (三) 1400

Prof Peter Chen Swiss Federal Institute of Technology Zurich Switzerland (推薦人 陸天堯教授) Organometallic Chemistry by ESI-MSMS High Valent Oxo Complexes Diolates Metallaoxetanes and Carbenes

0302 (三) 1530

Dr Sarah Thomas Royal Society of Chemistry Publishing Why Where and How (地點 周大紓講堂)

- 22 -

0303 (四) 1430

Prof Pierre Vogel Swiss Federal Institute of Technology Lausanne Switzerland (推薦人 陸天堯教授) Carbohydrate Mimetics Synthesis of C-Disaccharides Imino-C-disaccharides and Analogs and their Biological Properties

0303 (四) 1530

Prof Jay S Siegel University of Zurich Switzerland (推薦人 陸天堯教授) Cheap Fast and Out of Control Rationale for Combinatorial Chemistry

0304-05

第一屆台灣-瑞士雙邊有機合成研討會 Joint Swiss-Taiwanese Meeting ldquoFrontiers in Organic Synthesisrdquo (地點 國立台灣大學 原分所浦大邦演講廳)

0309 (三) Symposium

ldquoPhysical Studies on Photo- or Electron-responsive Materials 0310(四)

1400 陳月枝教授 國立交通大學 (推薦人 陳玉如教授) Title to be annouced

0324(四) 1530

王惠鈞所長 中研院生化所 (推薦人 陳長謙所長) Title to be announced

0407(四) 1530

Prof Richard Taylor University of York (推薦人 陸天堯教授) Title to be announced

0421(四) 1530

Prof Biswanath Das Indian Institute of Chemical Technology India (推薦人 畢爾曼教授) Investigation on Some Fundamental Reactions

地點A108 會議室 Revised on February 21 2005

- 23 -

國立彰化師範大學化學系九十三學年下學期專題演講一覽表

時間 演講者 服務單位 演講題目 地點 推薦人

411

pm 200 林建村

中央研究

院化學所 Electro-optic Materials from OLEDs to photovoltaics

藝薈館

系演講廳 李漢文

418

pm200 梁博煌

中央研究

院生化所 Anti-infectious drug discovery藝薈館

系演講廳 李衍彰

425

pm200 傅傳博

暨南大學

應化系 Development of Magnetic Separation for Analytical Chemistry

藝薈館

系演講廳 林秋薰

59

pm 200 蔡易州

清華大學

化學系 The power of Meal-Metal Multiple bonds

藝薈館

系演講廳 黃瑞賢

516

pm200 孫仲銘

東華大學

化學系 微波抗腫瘤藥物分子庫合成藝薈館

系演講廳 李衍彰

523

pm200 許昭萍

中央研究

院化學所 Electronic Coupling for electron transfer methods and applications

藝薈館

系演講廳 胡景瀚

66

pm200 林敬堯暨南大學

應化系

Tailoring ethynyl substituted porphyrins for photonic electrochemical and nano-related researches

藝薈館

系演講廳 洪政雄

613

pm200 莊琇惠

高雄大學

應化系 Chemical Vapor Deposition of Hafnium Oxonitride as High-k Materials

藝薈館

系演講廳 黃瑞賢

- 24 -

- 25 -

- 26 -

- 27 -

- 28 -

- 29 -

- 30 -

國科會化學推動中心補助學術研討會成果報告表

會議名稱94 年第一次國科會分析化學小組研討會

舉辦日期民國 94 年 2 月 19 日 至 民國 94 年 2 月 19 日

主辦機構國立中醫藥研究所國科會分析化學小組主持人蔡東湖傅明仁

舉辦地點國立中醫藥研究所 聯絡電話 02-2820 1999 ext 8091

出席人數工業界 人學術界(含學生) 110 人 共 110 人

會議重要成果 (如篇幅不足另以A4白紙填寫)

會議經過及議程

0900~0930 報到 0930~0940 主席國科會分析化學小組召集人傅明仁教授 0940~0950 致歡迎詞吳天賞教授 國立中醫藥研究所所長 0950~1040 專題演講食品中 acrylamide 之分析 周薰修博士 藥物食品檢驗局 主持人傅明仁教授 (東吳大學化學系) 1040~1110 茶點時間 1110~1200 專題演講哺乳動物體內 D-乳酸的分析 李仁愛助理教授 台北醫學大學藥學系

主持人蔡東湖教授 (國立中醫藥研究所) 1200~1320 中餐休息 1320~1410 專題演講利用分子轉印技術在人體肝臟細胞中重金屬中毒的飛 行式二次離子質譜儀(TOF-SIMS)離子影像分析研究 麥富德助理教授 中山醫學大學應用化學系

主持人李茂榮教授 (中興大學化學系) 1410~1500 專題演講具奈米結構之鋰電池電極材料研製與電化學析 劉茂煌助理教授 輔大化學系 主持人何國榮教授 (台灣大學化學系) 1500~1530 茶點時間 1530~1630 綜合座談跨領域幹細胞整合計畫

陳甫州教授 台中榮民總醫院 1630- 會議結束

- 31 -

重要收穫及心得

藉由此次會議接觸到來自各方的學術研究同仁也許各自專長的領域不盡相同但

對於分析化學的研究與應用有著彼此相同的努力目標相互的討論及觀摩不僅僅是成果

的分享更進一步帶來跨領域的合作靈感與契機

近來科學的發展已不再只靠一個人或一間實驗室單打獨鬥不同領域的結合發展漸

成顯學資訊與技術的交流也許會產生比預期更巨大的突破以生物科學這一個大的範

疇為例若缺少化學物理與數學的助益恐怕連傳統遺傳學理論都無法發展以古視今

現今各個次領域都擁有其各自的專長就跨領域幹細胞整合計畫而言只包含分生生理

的人才絕對不足分析化學甚至藥學的知識與技術也有其立足之地國科會分析化學小組

研討會就提供了這麼一個交流與合作的園地結合彼此的力量共同思考更遠大的未來 建議

首先先謝謝國科會化學推動中心的支持國科會分析化學小組的努力及國立中醫藥

研究所的配合使此次會議圓滿完成由於報名踴躍就一個一百多人參與的會議來說

此次補助的經費似乎稍嫌不足扣除演講者的講費及與會者的午餐其餘所剩無幾故將

來補助款若能依參與人數的多寡而稍做調整相信主辦機構能夠為與會者提供更好的服務

- 32 -

訪問教授訪問報告表

姓名 Prof Jean-Franccedilois Carpentier

訪問日期民國 94 年 2 月 20 日 至 民國 94 年 2 月 24 日

接待機構 清華大學化學系 接待人 季昀 教授 聯絡電話 (03) 5712956

訪問重要成果 (如篇幅不足另以A4白紙填寫)

1訪問經過

Prof Jean-Franccedilois Carpentier 於 20 日晚間抵達台灣經過一個晚上的短暫

休息星期一早晨赴台大化學系訪問中午與學生共進午餐交換研究心得並瞭解

該校研究狀況星期二赴淡江化學系訪問中午與晚間分別與學生與教員共進午晚

餐交換研究心得並瞭解該校研究近況並談及如何共同申請中法國際合作專案

星期三赴清大化學系訪問中午與該系教員共進午餐交換研究心得並瞭解該校研

究狀況晚間則回返回台北參觀一年一度的台北國際燈會星期四上午安排私人的

自由活動並赴台北市旅遊景點參訪晚間搭乘飛機離台

2演講行程及概要

2 月 21 日台灣大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 22 日淡江大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 23 日清華大學化學系Towards Green Plastics via Stereoselective Polymerization

of rac-Lactide with Discrete Group 3 Metal Complexes

3 重要收獲及心得

瞭解國際學術界在過渡金屬錯合物鑭系稀土錯合物的合成化學與催化反應方面的前

瞻進展狀態

並為建立合適管道執行未來國際學術合作促進國與國間的人員互動人員的相互

了解而努力

4其他意見

- 33 -

訪問教授訪問報告表

- 34 -

訪問教授訪問報告表

- 35 -

訪問教授訪問報告表

姓名Luis A Marky 教授 University of Nebraska Medical Center

訪問日期民國九十三年十二月四日至十一日

接待機構中央研究院 接待人甘魯生 聯絡電話02 2789 8550

訪問重要成果

訪問經過

Luis Marky 教授早年追隨熱力學

大師 Ken Breslauer之後為紐約

市大學及內布拉斯加州立大學

網羅是一位核酸熱力學專家

其論文發表在 J Am Chem Soc

Biochemistry Nucleic Acids Res

Methods Enzymol等知名國際專業雜誌上Marky 教授早在博士後研究員時即與本

人相識研究領域也相近一直有和他合作共同研究核酸的性質及結構的想法

他也對我們台灣非常友善此次有幸得到化學中心的資助得以邀請 Marky 來台

一方面洽談合作事誼一方面和國內學者及學生會談增進交流宣導有關核酸方

面的研究Marky 教授在短短一週內訪問了四所學術機構也以四個不同的題材

發表了四場學術演講次數相當密集把這次訪問推到最高峰幸好 Marky 教授

並不以為苦所以是一次成功的訪問 演講行程及概要

十二月四日星期六抵台

十二月五日星期日轉赴花蓮

十二月六日星期一

訪問國立東華大學

以ldquoDNA Hairpin Loops Folding Ligand Binding and Hydrationrdquo為題發表專題演講

- 36 -

十二月七日星期二

訪問中央研究院

以rdquoThermodynamics of DNA Triplexes Contributions of Base-Triplet Stacks and Base

Methylationrdquo為題發表專題演講

十二月八日星期三

訪問國立中正大學

以ldquoThermodynamics of DNA Triplexes Containing C-glycosides Basesrdquo為題發表專題

演講

十二月九日星期四

參觀故宮博物院

十二月十日星期五

訪問國立清華大學

以ldquoSherlock Holmesrsquos Adventures with Nucleic Acidsrdquo 為題發表專題演講

十二月十一日離台

重要收獲及心得

Marky 教授在信中稱他對四所訪問的學術機構中央研究院國立東華大學國

立中正大學及國立清華大學的教學及研究都有深刻的印也意外的面試了一位東

華生科所的學生準備收為研究生這是一件互惠之事Marky 教授也非常希望

能和我們合作共同研究

其他意見

(請見 Luis Marky 教授信)

- 37 -

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 11 -

國立中山大學化學系 九十三學年度第二學期專題演講

( 聯絡電話化學系 TEL(07)5252000 轉 3901) 日期時間 主 講 人 題 目 連絡人

940223 1410-1500

杜慶光 博士 美國佛羅里達大學藥學系

Proton Transfer in Carbonic Anhydrases 黃宣容

940302 1410-1500

陳生明 教授 台北科技大學化工系

薄膜修飾電極電催化及生物電化學 黃宣容

940309 1410-1500

蕭志農 博士

神隆股份有限公司 Chromatography in Process Chemistry 張彥誠

940316 1410-1500

張增輝 教授

美國紐約大學 New Method for Quantum Chemical Study of Proteins 陳國美

940323 1410-1500

洪文俊 所長 中山生醫所

Chemistry and Biology 謝建台

940330 1410-1500

徐秀福 教授 淡江化學系

液晶材料設計-從化學家的觀點切入 王志偉

940413 1410-1500

王先知 副所長 工研院化工所

工研院的奈米生醫研發 陳國美

940420 1410-1500

陸天堯 教授 台大化學系

Helical Double Stranded Polymers 周金興

940504 1410-1500

陳仲瑄 研究員 中研院基因體研究中心

Ultrasensitive Detection Technologies and their Biomedical Applications 黃宣容

940511 1410-1500

李漢文 教授 彰師大化學系

The Chemistry of Phosphine-functionalized N-heterocyclic

Carbene

梁蘭昌

940528 1410-1500

蕭世裕 教授 成大化學系

Preparation of Magnetic Nanoparticles as Drug

Carriers

周金興

940601 1410-1500

林達顯 教授 陽明大學生化所

Structural Determination of Apolipoprotein E and β-amyloid Peptide

丁尚武

演講地點理小劇場(理 1001)

- 12 -

國立暨南國際大學 應用化學系 93 學年度第二學期 演講公告

日期 時間 演講者 講題

94225 (五) PM320~500

林敬堯 (暨南大學應化系助理教授)

Tailoring Ethynyl Substituted Porphyrins for Photonic Electrochemical and Nano-Scale Related Researches

9434 (五) PM320~500

王忠茂 (台灣師範大學化學系教授)

Photoelectrochemistry on Zeolites

94311 (五) PM320~500

陳皓君 (中正大學化學暨生物化學系教

授)

Damage of DNA and ProteinsReactions and Analysis

94325 (五) PM320~500

裘性天 (交通大學應用化學系教授)

Growth of Inorganic Solids at the Interphase

9448 (五) PM320~500

周禮君 (中正大學化學暨生物化學系教

授)

Biosensors

94415 (五) PM320~500

葉晨聖 (成功大學化學系教授)

NanomaterialsMetal and Metal Oxide

94422 (五) PM320~500

林萬寅 (台灣大學化學系教授)

Mechanism and Chemiluminescence of Microperoxidase-Catalyzed Reactions

94429 (五) PM320~500

陳暉 (中央大學化材系教授)

均一粒徑高分子微粒子的製

備與其在光子晶體上之應用

9456 (五) PM320~500

黃賢達 (清華大學化學系教授)

Simultaneous Determination of Trace Elements in Urine by GFAAS

94520 (五) PM320~500

楊吉水 (中央大學化學系副教授)

The Photochemistry of N-Aryl-Substituted trans-4-aminostilbenes

94527 (五) PM320~500

蔡世榮 (工研院化工所高分子技術組

正研究員兼組長)

機能性染料之微波合成與應

9463 (五) PM320~500

陳幹男 (淡江大學化學系教授)

Curing Reaction and Functionalization of Agueous-based Polyurethane

地點科技一館 第一演講廳

- 13 -

朝陽科技大學應用化學系

93 學年度第(二)學期演講公告

未特別註明者演講地點為圖書館一樓演講廳

(學期中演講增刪或更新請以即期演講公告為準)

日期 時間 演 講 者 講 題

31

(二) 130 PM

阮若屈 教授

(中央大學化學工程與材料工

程學系)

Quantum Dot Biotechnology

38

(二) 130 PM

韓肇中 博士

(中央研究院原子與分子科學

研究所)

Diamond New Biomedical Material for the Post-genomic Era

329

(二) 130 PM

孫世勝 博士

(中央研究院化學研究所)

Fluorescent Conjugated Polymer-Based Chemosensors

426

(二)

130 PM

(教學大樓

T1-207)

洪豐裕 教授

(中興大學化學系系主任)

Palladium Catalyzed Coupling Reactions Using Cobalt-Containing Bulky Phosphine Ligands

503

(二)

130 PM

(教學大樓

T1-207)

許嘉生 董事長

(穀盛股份有限公司) 未定

531

(二) 130 PM

洪政雄 教授

(彰化師範大學化學系) 未定

67

(二) 130 PM

何佳安 教授

(暨南國際大學應用化學系)

Applications of Liposomes in Biomedicine and Diagnostics

0614

(二) 130 PM

吳立真 教授

(暨南國際大學應用化學系)未定

- 14 -

台大化學系暨化學研究推動中心

93 學年度第(二)學期演講公告

未特別註明者演講地點為浦大邦講堂

(學期中演講增刪或更新請以即期演講公告為準)

日期 演 講 者 講 題

推薦者

221 (一)

330

Prof Jean-Franccedilois CARPENTIER

(Universiteacute de Rennes 1)

Lanthanide Complexes Incorporating Fluorenyl-based Ligands Unusual Bonding

Modes and Unique initiators for syndiospecific styrene polymerization

陳竹亭 教授

222 (二)

400

Dr Hung-Wen Li (Mcgill Chemistry Canada)

Single-Molecule Mechanistic Study of DNA Repair Enzymes

陳竹亭 教授

223 (三)

330

(化四)

Dr Tsang Chi-Wing (Research Associate Univ of

British Columbia) Utilizing P=C bonds in Polymer Science

劉緒宗 教授

224 (四)

200

Prof Yong Hae Kim Distinguished Professor of

KAIST Dept of Chemistry Korea

Dramatic Stereofacial Control in Asymmetric Syntheses

陸天堯 教授

225 (五)

330

黃乃正 (香港中文大學)

The Chemistry of Hydroxytetraphenylenes

陸天堯 教授

31 (二)

200

Prof Seebach Dieter Synthesis and Structures of β-Peptides

陸天堯 教授

33 (四)

200

(會議室)

Dr Sarah Thomas Dr Robert Parker

Dr David Barr (英國皇家學會)

TBA

陸天堯 教授

33 (四)

315

(化四)

Prof Yoshito Takeuchi (Department of Chemistry

Faculty of ScienceKanagawa University)

Organogermanium ChemistrymdashA Wonderland of Heteroatom Chemistry

陳竹亭 教授

- 15 -

日期 演 講 者 講 題

推薦者

33 (四)

415

(化四)

Prof Wasuke Mori (Department of Chemistry

Faculty of ScienceKanagawa University)

Microporous Materials of Metal Carboxylates Gas-occlusion Properties Inclusion Complex

Formation with Organic Polymer and Catalytic Activities for Hydrogenation of Olefins

陳竹亭 教授

345 (五六)

全日

台灣瑞士雙邊有機合成研討會

陸天堯 教授

38 (二)

200

Prof Hung-Wen Liu Learning natures strategies for making unusual sugars

陸天堯 教授

310 (四)

200

Prof Luisa De Cola (Chair of Molecular

Photonic Materials Van t Hoff Institute for Molecular

Sciences (HIMS) Univ of Amsterdam The

Netherlands)

Covalently and NonCovalently Linked Molecular Wires

陸天堯 教授

310 (四)

330

Prof Jeffery I Zink (UCLA)

Nano-Structured Sol-Gel Materials and Functional Molecular Machines

陳昭岑 教授

317 (四)

330

Prof Atsunori Mori (東京工業大學資源化學研

究所副教授)

Transition Metal-Catalyzed Reactions of Alkynes and Heteroaromatic

Compounds

陸天堯 教授

325 (五)

330

Prof G Mehta TBA

陸天堯 教授

4 8 (五)

330

Prof Richard Taylor TBA

陸天堯 教授

415 (五)

200

Prof Oshio (Tsukuba University)

High-Spin molecules toward single-molecule magnets

彭旭明 教授

415 (五)

330

黃迪靖 博士 (國家同步輻射研究中心副

研究員)

Charge and Orbital Ordering in Transition-Metal Oxides

劉如熹 教授

- 16 -

日期 演 講 者 講 題

推薦者

422 (五)

330

林建村 博士 (中研院化學所)

Electro-optic Materialsfrom OLEDs to Photovoltaics

陸天堯 教授

429 (五)

330

Prof Vijay nair TBA

陸天堯 教授

56 (五)

330

林寬鋸 教授 (中興大學化學系)

1D-Semiconducting Metal OxidesSynthesis and Applications

陸天堯 教授

520 (五)

330

許千樹 教授 (交通大學應用化學系)

Nanostructure Enhanced Polymer Light Emitting Diodes

陸天堯 教授

63 (五)

330

孫仲銘 教授 (東華大學化研所)

微波合成抑制新生血管增生先導藥物分子庫

陸天堯 教授

610 (五)

330

蔡明道 博士 (中央研究院基因體中心)

TBA

陸天堯 教授

- 17 -

93 學年第二學期 國立東華大學化學系專題演講

週次 日期 演講者 演講題目 邀請者

3 311 呂宗昕 教授 台灣大學化工系

奈米科技與奈米世界 羅幼旭

4 318 林志彪 教授 東華大學化學系

TBA 化學系

5 325 曹英彥 博士 中油公司

Preparation Characterization and Applications of Zeolite-supported

Subnano Metallic Particles

林志彪

7 48 陳慶年 博士 NIH (USA)

Magnetic Resonance Imaging ndash from a chemistrsquos perspective

錢嘉琳

8 415 Dr Wei Gang

Metal Based Self-Assembly in Supramolecular Chemistry

化學系

9 422 裘性天 教授 交通大學應化系

Growth of Inorganic Solids at the Interphase

林志彪

13 520 王雲銘 教授 高醫應化系

Synthesis and characterization of bio-activated contrast agents for Magnetic Resonance Imaging

劉鎮維

14 527 Prof John Z H ZhangNew York Univ

New Quantum Computational Study of Proteins

張秀華

15 63 林震煌 教授 臺灣師範大學化學系

毛細管電泳線上濃縮技術的發展

與應用 何彥鵬

16 610 李衍彰 教授 彰化師範大學化學系

Synthesis of the natural products as anti-tumor agents

註每週五下午 310pm-500pm

理二講堂

- 18 -

淡江大學化學系 93 學年度第(二)學期演講公告 演講時間每週一下午 210~400演講地點教育館 (Q-409)

日期 時間 演講者 演講題目

221(一) 210~400 傅達勳 危險物及毒化物之認識與運作

307(一) 210~400 Prof Yoshito Takeuchi(Kanagawa University)

Organogermanium Chemistry-A Wonderland of Heteroatom Chemistry

314(一) 210~400 張增輝教授 (美國紐約大學)

321(一) 210~400 施增廉 (淡江大學化學系)

Syntheses of a New Trihydroxy Piperidine Derivative Quercitols and Azepanes for Glycosidase Inhibitors from D-(-)-quinic Acid

328(一) 210~400 陳振漢

(國防醫學院生物晶片

中心)

蛋白質體技術之發展與應用

418(一) 210~400 林唯芳教授 (台大材料系)

分子奈米材料及元件應用

425(一) 210~400 刁維光副教授 (交大應化所)

紫質分子在奈米結構中的光物理與光化學

502(一) 210~400 楊禮明教授 (中國醫藥研究所)

509(一) 210~400 劉廣定教授 (台大化學系)

永續化學與液晶製備

516(一) 210~400 林倫年副研究員 (台大凝態中心)

523(一) 210~400 翁啟惠院士 (中研院)

化學生物與後基因時代之研究

530(一) 210~400 曾惠芳助理教授 (暨大應化系)

毛細管電泳在生化分析上的應用

606(一) 210~400 侯敦仁助理教授 (中央大學化學系)

合環歧化(Ring-Closing Metathesis)之合成

應用

613(一) 210~400 謝明發研究員 (工研院)

The polymeric nano-particles for drug delivery vehicles

- 19 -

中原大學化學系

93 學年度下學期-「學術專題演講」日程表

時間每週三 1500-1630

地點理學館 1樓講堂

主持人葉華光老師 聯絡電話03-2653305 日期 講員 標題 負責

實驗室

223 休息

32 中研院化學研究

所孫世勝博士 Fluorescent Conjugated Polymer-Based Chemosensors

楊千金老師

Lab

39 休息

316 中興大學化學系

林寬鋸教授

未定 葉華光老師

Lab

323 休息 (運動會)

330 南台科技大學

林鴻儒教授 Porous Scaffolds for Bone Tissue Engineering

李世琛老師

Lab

46 休息 (校外實習週)

413 台大醫學院

藥學研究所

李水盛教授

未定 蔡宗燕老師

Lab

420 休息 (期中考)

427 國立陽明大學

周成功教授 How to Struggle with a Novel Gene in the Genome Era

葉瑞銘老師

Lab

54 東吳大學

傅明仁教授 Drug analysis by LC-ES-MS

蔡祐輔老師

Lab

511 休息

518 休息

525 國立成功大學

林弘萍教授

中孔洞氧化矽和碳材料合成與應用 江彰吉老師

Lab

61 華邦電子

周良奎經理

The application of CMP in IC Fabrication

陳玉惠老師

Lab

68 清華大學化學系

劉行讓教授 Reductive Decyanation A Powerful Tool in Organic Synthesis

黃悉雅老師

Lab

615 休息

備註1 請各場次負責的實驗室於演講前做好教具測試 2 自本學期起各場次負責之實驗室僅提供茶水不再準備點心

- 20 -

國立嘉義大學應用化學系 九十三學年度第二學期演講公告

(學期中演講增刪或更新請以即期演講公告為準)

日期 時間 演 講 者 講 題

223

(三) pm1520

~1700 陳勁初主任 (葡萄王生技中心主任)

生技保健食品開發

302

(三) pm1520

~1700 陳泊余教授(高雄醫學大學 醫藥暨應用化學系)

The application of ionic liquids in electrochemistry

316

(三) Pm1520

~1700 陳焜銘教授 (師範大學化學系)

The development of camphor derived chiral ligands for asymmetric reactions

323

(三) pm1520

~1700 何佳安教授 (暨南大學化學系)

Liposome in Diagnostic Microbiology

330

(三) pm1330

~1510 夏克山博士 (國家衛生研究院)

Discovery of New Stem Cell Mobilizers Antagonizing CXCR4 Chemokine Receptor

406

(三) pm1520

~1700 陳幹男教授 (淡江大學化學系)

Hybridization of Aqueous-based Polymers

413

(三) pm1520

~1700 汪炳鈞教授 (清華大學化學系)

Asymmetric Synthesis Using Camphor Derived Chiral Ligands

504

(三) pm1520

~1700 林震煌教授 (師範大學化學系)

毛細管電泳線上濃縮技術的發展

與應用

427

(三) pm1520

~1700 劉英麟教授 (中原大學化工系)

應用二氧化矽奈米粒子於高分子

材料改質

註演講地點在工程館四樓視聽教室

- 21 -

中 央 研 究 院 化 學 研 究 所 INSTITUTE OF CHEMISTRY ACADEMIA SINICA

學 術 演 講 (Chemistry Colloquium)

0106 (四) 1530

唐本忠教授 香港科技大學 (推薦人 陶雨台教授) Light-Emitting Polyenes Polyynes and Polyarylenes

0110 (一) 1530

Prof Rudy Marcus California Institute of Technology USA (推薦人 許昭萍教授) Puzzling phenomena in the fluorescence intermittency of single quantum dots theory and experiment (地點 周大紓講堂)

0114 (五) 1530

Prof Samson A Jenekhe University of Washington USA (推薦人 陶雨台教授) Organic Electronics and Optoelectronics

0125 (二) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Design and Synthesis of Tumor-Targeting Boron Molecules

0126 (三) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Chemistry of Bis-π-allylpalladium for Organic Synthesis

0127 (四) 1530

Prof Teruo Shinmyozu Kyushu University Japan (推薦人 周大新教授) Synthesis Structure and Photochemical Properties of [3n]Cyclophanes (n = 2-6)

0129 (六) 功能性有機化合物的分子建構 小型研討會

0202 (三) 1530

曾志明教授 國立中興大學 (推薦人 陳錦地教授) Addressing grand energy challenges through advanced materials

0203 (四) 1030

江明錫博士 國立清華大學 (Interview Talk) f-ion speciation and d-f interaction toward electrocatalysis LnAn-polyoxotungstates

0218 (五) 1030

Dr Tiow-Gan Ong University of Ottawa Canada The stories of rationally designing a Guanidinate transition metal Complexes and constructing a Stable Carbene with a Novel Topology and Electronic Framework Their Role in Catalysis

0221 (一) 1030

Dr Chi-Wing Tsang University of British Columbia Canada (Interview Talk) Carborane - A New Weakly Coordinating Anion Utilizing P=C bonds in Polymer Chemistry

0225 (五) 1030

Dr Chen-Hsiung Hung National Changhua University of Education Metal Assisted Small Molecule Activations Using Porphyrin Analogues or NNO-Scorpionates as Ligands

0226 (六) 周大紓先生紀念研討會 (Ta-shue Chou Memorial Lecture) (地點 周大紓講堂)

0301 (二) 1030

Dr Wen-Yuan Hsieh Purdue University Synthesis Characterization of monomeric and dimeric Mn complexes

0302 (三) 1400

Prof Peter Chen Swiss Federal Institute of Technology Zurich Switzerland (推薦人 陸天堯教授) Organometallic Chemistry by ESI-MSMS High Valent Oxo Complexes Diolates Metallaoxetanes and Carbenes

0302 (三) 1530

Dr Sarah Thomas Royal Society of Chemistry Publishing Why Where and How (地點 周大紓講堂)

- 22 -

0303 (四) 1430

Prof Pierre Vogel Swiss Federal Institute of Technology Lausanne Switzerland (推薦人 陸天堯教授) Carbohydrate Mimetics Synthesis of C-Disaccharides Imino-C-disaccharides and Analogs and their Biological Properties

0303 (四) 1530

Prof Jay S Siegel University of Zurich Switzerland (推薦人 陸天堯教授) Cheap Fast and Out of Control Rationale for Combinatorial Chemistry

0304-05

第一屆台灣-瑞士雙邊有機合成研討會 Joint Swiss-Taiwanese Meeting ldquoFrontiers in Organic Synthesisrdquo (地點 國立台灣大學 原分所浦大邦演講廳)

0309 (三) Symposium

ldquoPhysical Studies on Photo- or Electron-responsive Materials 0310(四)

1400 陳月枝教授 國立交通大學 (推薦人 陳玉如教授) Title to be annouced

0324(四) 1530

王惠鈞所長 中研院生化所 (推薦人 陳長謙所長) Title to be announced

0407(四) 1530

Prof Richard Taylor University of York (推薦人 陸天堯教授) Title to be announced

0421(四) 1530

Prof Biswanath Das Indian Institute of Chemical Technology India (推薦人 畢爾曼教授) Investigation on Some Fundamental Reactions

地點A108 會議室 Revised on February 21 2005

- 23 -

國立彰化師範大學化學系九十三學年下學期專題演講一覽表

時間 演講者 服務單位 演講題目 地點 推薦人

411

pm 200 林建村

中央研究

院化學所 Electro-optic Materials from OLEDs to photovoltaics

藝薈館

系演講廳 李漢文

418

pm200 梁博煌

中央研究

院生化所 Anti-infectious drug discovery藝薈館

系演講廳 李衍彰

425

pm200 傅傳博

暨南大學

應化系 Development of Magnetic Separation for Analytical Chemistry

藝薈館

系演講廳 林秋薰

59

pm 200 蔡易州

清華大學

化學系 The power of Meal-Metal Multiple bonds

藝薈館

系演講廳 黃瑞賢

516

pm200 孫仲銘

東華大學

化學系 微波抗腫瘤藥物分子庫合成藝薈館

系演講廳 李衍彰

523

pm200 許昭萍

中央研究

院化學所 Electronic Coupling for electron transfer methods and applications

藝薈館

系演講廳 胡景瀚

66

pm200 林敬堯暨南大學

應化系

Tailoring ethynyl substituted porphyrins for photonic electrochemical and nano-related researches

藝薈館

系演講廳 洪政雄

613

pm200 莊琇惠

高雄大學

應化系 Chemical Vapor Deposition of Hafnium Oxonitride as High-k Materials

藝薈館

系演講廳 黃瑞賢

- 24 -

- 25 -

- 26 -

- 27 -

- 28 -

- 29 -

- 30 -

國科會化學推動中心補助學術研討會成果報告表

會議名稱94 年第一次國科會分析化學小組研討會

舉辦日期民國 94 年 2 月 19 日 至 民國 94 年 2 月 19 日

主辦機構國立中醫藥研究所國科會分析化學小組主持人蔡東湖傅明仁

舉辦地點國立中醫藥研究所 聯絡電話 02-2820 1999 ext 8091

出席人數工業界 人學術界(含學生) 110 人 共 110 人

會議重要成果 (如篇幅不足另以A4白紙填寫)

會議經過及議程

0900~0930 報到 0930~0940 主席國科會分析化學小組召集人傅明仁教授 0940~0950 致歡迎詞吳天賞教授 國立中醫藥研究所所長 0950~1040 專題演講食品中 acrylamide 之分析 周薰修博士 藥物食品檢驗局 主持人傅明仁教授 (東吳大學化學系) 1040~1110 茶點時間 1110~1200 專題演講哺乳動物體內 D-乳酸的分析 李仁愛助理教授 台北醫學大學藥學系

主持人蔡東湖教授 (國立中醫藥研究所) 1200~1320 中餐休息 1320~1410 專題演講利用分子轉印技術在人體肝臟細胞中重金屬中毒的飛 行式二次離子質譜儀(TOF-SIMS)離子影像分析研究 麥富德助理教授 中山醫學大學應用化學系

主持人李茂榮教授 (中興大學化學系) 1410~1500 專題演講具奈米結構之鋰電池電極材料研製與電化學析 劉茂煌助理教授 輔大化學系 主持人何國榮教授 (台灣大學化學系) 1500~1530 茶點時間 1530~1630 綜合座談跨領域幹細胞整合計畫

陳甫州教授 台中榮民總醫院 1630- 會議結束

- 31 -

重要收穫及心得

藉由此次會議接觸到來自各方的學術研究同仁也許各自專長的領域不盡相同但

對於分析化學的研究與應用有著彼此相同的努力目標相互的討論及觀摩不僅僅是成果

的分享更進一步帶來跨領域的合作靈感與契機

近來科學的發展已不再只靠一個人或一間實驗室單打獨鬥不同領域的結合發展漸

成顯學資訊與技術的交流也許會產生比預期更巨大的突破以生物科學這一個大的範

疇為例若缺少化學物理與數學的助益恐怕連傳統遺傳學理論都無法發展以古視今

現今各個次領域都擁有其各自的專長就跨領域幹細胞整合計畫而言只包含分生生理

的人才絕對不足分析化學甚至藥學的知識與技術也有其立足之地國科會分析化學小組

研討會就提供了這麼一個交流與合作的園地結合彼此的力量共同思考更遠大的未來 建議

首先先謝謝國科會化學推動中心的支持國科會分析化學小組的努力及國立中醫藥

研究所的配合使此次會議圓滿完成由於報名踴躍就一個一百多人參與的會議來說

此次補助的經費似乎稍嫌不足扣除演講者的講費及與會者的午餐其餘所剩無幾故將

來補助款若能依參與人數的多寡而稍做調整相信主辦機構能夠為與會者提供更好的服務

- 32 -

訪問教授訪問報告表

姓名 Prof Jean-Franccedilois Carpentier

訪問日期民國 94 年 2 月 20 日 至 民國 94 年 2 月 24 日

接待機構 清華大學化學系 接待人 季昀 教授 聯絡電話 (03) 5712956

訪問重要成果 (如篇幅不足另以A4白紙填寫)

1訪問經過

Prof Jean-Franccedilois Carpentier 於 20 日晚間抵達台灣經過一個晚上的短暫

休息星期一早晨赴台大化學系訪問中午與學生共進午餐交換研究心得並瞭解

該校研究狀況星期二赴淡江化學系訪問中午與晚間分別與學生與教員共進午晚

餐交換研究心得並瞭解該校研究近況並談及如何共同申請中法國際合作專案

星期三赴清大化學系訪問中午與該系教員共進午餐交換研究心得並瞭解該校研

究狀況晚間則回返回台北參觀一年一度的台北國際燈會星期四上午安排私人的

自由活動並赴台北市旅遊景點參訪晚間搭乘飛機離台

2演講行程及概要

2 月 21 日台灣大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 22 日淡江大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 23 日清華大學化學系Towards Green Plastics via Stereoselective Polymerization

of rac-Lactide with Discrete Group 3 Metal Complexes

3 重要收獲及心得

瞭解國際學術界在過渡金屬錯合物鑭系稀土錯合物的合成化學與催化反應方面的前

瞻進展狀態

並為建立合適管道執行未來國際學術合作促進國與國間的人員互動人員的相互

了解而努力

4其他意見

- 33 -

訪問教授訪問報告表

- 34 -

訪問教授訪問報告表

- 35 -

訪問教授訪問報告表

姓名Luis A Marky 教授 University of Nebraska Medical Center

訪問日期民國九十三年十二月四日至十一日

接待機構中央研究院 接待人甘魯生 聯絡電話02 2789 8550

訪問重要成果

訪問經過

Luis Marky 教授早年追隨熱力學

大師 Ken Breslauer之後為紐約

市大學及內布拉斯加州立大學

網羅是一位核酸熱力學專家

其論文發表在 J Am Chem Soc

Biochemistry Nucleic Acids Res

Methods Enzymol等知名國際專業雜誌上Marky 教授早在博士後研究員時即與本

人相識研究領域也相近一直有和他合作共同研究核酸的性質及結構的想法

他也對我們台灣非常友善此次有幸得到化學中心的資助得以邀請 Marky 來台

一方面洽談合作事誼一方面和國內學者及學生會談增進交流宣導有關核酸方

面的研究Marky 教授在短短一週內訪問了四所學術機構也以四個不同的題材

發表了四場學術演講次數相當密集把這次訪問推到最高峰幸好 Marky 教授

並不以為苦所以是一次成功的訪問 演講行程及概要

十二月四日星期六抵台

十二月五日星期日轉赴花蓮

十二月六日星期一

訪問國立東華大學

以ldquoDNA Hairpin Loops Folding Ligand Binding and Hydrationrdquo為題發表專題演講

- 36 -

十二月七日星期二

訪問中央研究院

以rdquoThermodynamics of DNA Triplexes Contributions of Base-Triplet Stacks and Base

Methylationrdquo為題發表專題演講

十二月八日星期三

訪問國立中正大學

以ldquoThermodynamics of DNA Triplexes Containing C-glycosides Basesrdquo為題發表專題

演講

十二月九日星期四

參觀故宮博物院

十二月十日星期五

訪問國立清華大學

以ldquoSherlock Holmesrsquos Adventures with Nucleic Acidsrdquo 為題發表專題演講

十二月十一日離台

重要收獲及心得

Marky 教授在信中稱他對四所訪問的學術機構中央研究院國立東華大學國

立中正大學及國立清華大學的教學及研究都有深刻的印也意外的面試了一位東

華生科所的學生準備收為研究生這是一件互惠之事Marky 教授也非常希望

能和我們合作共同研究

其他意見

(請見 Luis Marky 教授信)

- 37 -

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 12 -

國立暨南國際大學 應用化學系 93 學年度第二學期 演講公告

日期 時間 演講者 講題

94225 (五) PM320~500

林敬堯 (暨南大學應化系助理教授)

Tailoring Ethynyl Substituted Porphyrins for Photonic Electrochemical and Nano-Scale Related Researches

9434 (五) PM320~500

王忠茂 (台灣師範大學化學系教授)

Photoelectrochemistry on Zeolites

94311 (五) PM320~500

陳皓君 (中正大學化學暨生物化學系教

授)

Damage of DNA and ProteinsReactions and Analysis

94325 (五) PM320~500

裘性天 (交通大學應用化學系教授)

Growth of Inorganic Solids at the Interphase

9448 (五) PM320~500

周禮君 (中正大學化學暨生物化學系教

授)

Biosensors

94415 (五) PM320~500

葉晨聖 (成功大學化學系教授)

NanomaterialsMetal and Metal Oxide

94422 (五) PM320~500

林萬寅 (台灣大學化學系教授)

Mechanism and Chemiluminescence of Microperoxidase-Catalyzed Reactions

94429 (五) PM320~500

陳暉 (中央大學化材系教授)

均一粒徑高分子微粒子的製

備與其在光子晶體上之應用

9456 (五) PM320~500

黃賢達 (清華大學化學系教授)

Simultaneous Determination of Trace Elements in Urine by GFAAS

94520 (五) PM320~500

楊吉水 (中央大學化學系副教授)

The Photochemistry of N-Aryl-Substituted trans-4-aminostilbenes

94527 (五) PM320~500

蔡世榮 (工研院化工所高分子技術組

正研究員兼組長)

機能性染料之微波合成與應

9463 (五) PM320~500

陳幹男 (淡江大學化學系教授)

Curing Reaction and Functionalization of Agueous-based Polyurethane

地點科技一館 第一演講廳

- 13 -

朝陽科技大學應用化學系

93 學年度第(二)學期演講公告

未特別註明者演講地點為圖書館一樓演講廳

(學期中演講增刪或更新請以即期演講公告為準)

日期 時間 演 講 者 講 題

31

(二) 130 PM

阮若屈 教授

(中央大學化學工程與材料工

程學系)

Quantum Dot Biotechnology

38

(二) 130 PM

韓肇中 博士

(中央研究院原子與分子科學

研究所)

Diamond New Biomedical Material for the Post-genomic Era

329

(二) 130 PM

孫世勝 博士

(中央研究院化學研究所)

Fluorescent Conjugated Polymer-Based Chemosensors

426

(二)

130 PM

(教學大樓

T1-207)

洪豐裕 教授

(中興大學化學系系主任)

Palladium Catalyzed Coupling Reactions Using Cobalt-Containing Bulky Phosphine Ligands

503

(二)

130 PM

(教學大樓

T1-207)

許嘉生 董事長

(穀盛股份有限公司) 未定

531

(二) 130 PM

洪政雄 教授

(彰化師範大學化學系) 未定

67

(二) 130 PM

何佳安 教授

(暨南國際大學應用化學系)

Applications of Liposomes in Biomedicine and Diagnostics

0614

(二) 130 PM

吳立真 教授

(暨南國際大學應用化學系)未定

- 14 -

台大化學系暨化學研究推動中心

93 學年度第(二)學期演講公告

未特別註明者演講地點為浦大邦講堂

(學期中演講增刪或更新請以即期演講公告為準)

日期 演 講 者 講 題

推薦者

221 (一)

330

Prof Jean-Franccedilois CARPENTIER

(Universiteacute de Rennes 1)

Lanthanide Complexes Incorporating Fluorenyl-based Ligands Unusual Bonding

Modes and Unique initiators for syndiospecific styrene polymerization

陳竹亭 教授

222 (二)

400

Dr Hung-Wen Li (Mcgill Chemistry Canada)

Single-Molecule Mechanistic Study of DNA Repair Enzymes

陳竹亭 教授

223 (三)

330

(化四)

Dr Tsang Chi-Wing (Research Associate Univ of

British Columbia) Utilizing P=C bonds in Polymer Science

劉緒宗 教授

224 (四)

200

Prof Yong Hae Kim Distinguished Professor of

KAIST Dept of Chemistry Korea

Dramatic Stereofacial Control in Asymmetric Syntheses

陸天堯 教授

225 (五)

330

黃乃正 (香港中文大學)

The Chemistry of Hydroxytetraphenylenes

陸天堯 教授

31 (二)

200

Prof Seebach Dieter Synthesis and Structures of β-Peptides

陸天堯 教授

33 (四)

200

(會議室)

Dr Sarah Thomas Dr Robert Parker

Dr David Barr (英國皇家學會)

TBA

陸天堯 教授

33 (四)

315

(化四)

Prof Yoshito Takeuchi (Department of Chemistry

Faculty of ScienceKanagawa University)

Organogermanium ChemistrymdashA Wonderland of Heteroatom Chemistry

陳竹亭 教授

- 15 -

日期 演 講 者 講 題

推薦者

33 (四)

415

(化四)

Prof Wasuke Mori (Department of Chemistry

Faculty of ScienceKanagawa University)

Microporous Materials of Metal Carboxylates Gas-occlusion Properties Inclusion Complex

Formation with Organic Polymer and Catalytic Activities for Hydrogenation of Olefins

陳竹亭 教授

345 (五六)

全日

台灣瑞士雙邊有機合成研討會

陸天堯 教授

38 (二)

200

Prof Hung-Wen Liu Learning natures strategies for making unusual sugars

陸天堯 教授

310 (四)

200

Prof Luisa De Cola (Chair of Molecular

Photonic Materials Van t Hoff Institute for Molecular

Sciences (HIMS) Univ of Amsterdam The

Netherlands)

Covalently and NonCovalently Linked Molecular Wires

陸天堯 教授

310 (四)

330

Prof Jeffery I Zink (UCLA)

Nano-Structured Sol-Gel Materials and Functional Molecular Machines

陳昭岑 教授

317 (四)

330

Prof Atsunori Mori (東京工業大學資源化學研

究所副教授)

Transition Metal-Catalyzed Reactions of Alkynes and Heteroaromatic

Compounds

陸天堯 教授

325 (五)

330

Prof G Mehta TBA

陸天堯 教授

4 8 (五)

330

Prof Richard Taylor TBA

陸天堯 教授

415 (五)

200

Prof Oshio (Tsukuba University)

High-Spin molecules toward single-molecule magnets

彭旭明 教授

415 (五)

330

黃迪靖 博士 (國家同步輻射研究中心副

研究員)

Charge and Orbital Ordering in Transition-Metal Oxides

劉如熹 教授

- 16 -

日期 演 講 者 講 題

推薦者

422 (五)

330

林建村 博士 (中研院化學所)

Electro-optic Materialsfrom OLEDs to Photovoltaics

陸天堯 教授

429 (五)

330

Prof Vijay nair TBA

陸天堯 教授

56 (五)

330

林寬鋸 教授 (中興大學化學系)

1D-Semiconducting Metal OxidesSynthesis and Applications

陸天堯 教授

520 (五)

330

許千樹 教授 (交通大學應用化學系)

Nanostructure Enhanced Polymer Light Emitting Diodes

陸天堯 教授

63 (五)

330

孫仲銘 教授 (東華大學化研所)

微波合成抑制新生血管增生先導藥物分子庫

陸天堯 教授

610 (五)

330

蔡明道 博士 (中央研究院基因體中心)

TBA

陸天堯 教授

- 17 -

93 學年第二學期 國立東華大學化學系專題演講

週次 日期 演講者 演講題目 邀請者

3 311 呂宗昕 教授 台灣大學化工系

奈米科技與奈米世界 羅幼旭

4 318 林志彪 教授 東華大學化學系

TBA 化學系

5 325 曹英彥 博士 中油公司

Preparation Characterization and Applications of Zeolite-supported

Subnano Metallic Particles

林志彪

7 48 陳慶年 博士 NIH (USA)

Magnetic Resonance Imaging ndash from a chemistrsquos perspective

錢嘉琳

8 415 Dr Wei Gang

Metal Based Self-Assembly in Supramolecular Chemistry

化學系

9 422 裘性天 教授 交通大學應化系

Growth of Inorganic Solids at the Interphase

林志彪

13 520 王雲銘 教授 高醫應化系

Synthesis and characterization of bio-activated contrast agents for Magnetic Resonance Imaging

劉鎮維

14 527 Prof John Z H ZhangNew York Univ

New Quantum Computational Study of Proteins

張秀華

15 63 林震煌 教授 臺灣師範大學化學系

毛細管電泳線上濃縮技術的發展

與應用 何彥鵬

16 610 李衍彰 教授 彰化師範大學化學系

Synthesis of the natural products as anti-tumor agents

註每週五下午 310pm-500pm

理二講堂

- 18 -

淡江大學化學系 93 學年度第(二)學期演講公告 演講時間每週一下午 210~400演講地點教育館 (Q-409)

日期 時間 演講者 演講題目

221(一) 210~400 傅達勳 危險物及毒化物之認識與運作

307(一) 210~400 Prof Yoshito Takeuchi(Kanagawa University)

Organogermanium Chemistry-A Wonderland of Heteroatom Chemistry

314(一) 210~400 張增輝教授 (美國紐約大學)

321(一) 210~400 施增廉 (淡江大學化學系)

Syntheses of a New Trihydroxy Piperidine Derivative Quercitols and Azepanes for Glycosidase Inhibitors from D-(-)-quinic Acid

328(一) 210~400 陳振漢

(國防醫學院生物晶片

中心)

蛋白質體技術之發展與應用

418(一) 210~400 林唯芳教授 (台大材料系)

分子奈米材料及元件應用

425(一) 210~400 刁維光副教授 (交大應化所)

紫質分子在奈米結構中的光物理與光化學

502(一) 210~400 楊禮明教授 (中國醫藥研究所)

509(一) 210~400 劉廣定教授 (台大化學系)

永續化學與液晶製備

516(一) 210~400 林倫年副研究員 (台大凝態中心)

523(一) 210~400 翁啟惠院士 (中研院)

化學生物與後基因時代之研究

530(一) 210~400 曾惠芳助理教授 (暨大應化系)

毛細管電泳在生化分析上的應用

606(一) 210~400 侯敦仁助理教授 (中央大學化學系)

合環歧化(Ring-Closing Metathesis)之合成

應用

613(一) 210~400 謝明發研究員 (工研院)

The polymeric nano-particles for drug delivery vehicles

- 19 -

中原大學化學系

93 學年度下學期-「學術專題演講」日程表

時間每週三 1500-1630

地點理學館 1樓講堂

主持人葉華光老師 聯絡電話03-2653305 日期 講員 標題 負責

實驗室

223 休息

32 中研院化學研究

所孫世勝博士 Fluorescent Conjugated Polymer-Based Chemosensors

楊千金老師

Lab

39 休息

316 中興大學化學系

林寬鋸教授

未定 葉華光老師

Lab

323 休息 (運動會)

330 南台科技大學

林鴻儒教授 Porous Scaffolds for Bone Tissue Engineering

李世琛老師

Lab

46 休息 (校外實習週)

413 台大醫學院

藥學研究所

李水盛教授

未定 蔡宗燕老師

Lab

420 休息 (期中考)

427 國立陽明大學

周成功教授 How to Struggle with a Novel Gene in the Genome Era

葉瑞銘老師

Lab

54 東吳大學

傅明仁教授 Drug analysis by LC-ES-MS

蔡祐輔老師

Lab

511 休息

518 休息

525 國立成功大學

林弘萍教授

中孔洞氧化矽和碳材料合成與應用 江彰吉老師

Lab

61 華邦電子

周良奎經理

The application of CMP in IC Fabrication

陳玉惠老師

Lab

68 清華大學化學系

劉行讓教授 Reductive Decyanation A Powerful Tool in Organic Synthesis

黃悉雅老師

Lab

615 休息

備註1 請各場次負責的實驗室於演講前做好教具測試 2 自本學期起各場次負責之實驗室僅提供茶水不再準備點心

- 20 -

國立嘉義大學應用化學系 九十三學年度第二學期演講公告

(學期中演講增刪或更新請以即期演講公告為準)

日期 時間 演 講 者 講 題

223

(三) pm1520

~1700 陳勁初主任 (葡萄王生技中心主任)

生技保健食品開發

302

(三) pm1520

~1700 陳泊余教授(高雄醫學大學 醫藥暨應用化學系)

The application of ionic liquids in electrochemistry

316

(三) Pm1520

~1700 陳焜銘教授 (師範大學化學系)

The development of camphor derived chiral ligands for asymmetric reactions

323

(三) pm1520

~1700 何佳安教授 (暨南大學化學系)

Liposome in Diagnostic Microbiology

330

(三) pm1330

~1510 夏克山博士 (國家衛生研究院)

Discovery of New Stem Cell Mobilizers Antagonizing CXCR4 Chemokine Receptor

406

(三) pm1520

~1700 陳幹男教授 (淡江大學化學系)

Hybridization of Aqueous-based Polymers

413

(三) pm1520

~1700 汪炳鈞教授 (清華大學化學系)

Asymmetric Synthesis Using Camphor Derived Chiral Ligands

504

(三) pm1520

~1700 林震煌教授 (師範大學化學系)

毛細管電泳線上濃縮技術的發展

與應用

427

(三) pm1520

~1700 劉英麟教授 (中原大學化工系)

應用二氧化矽奈米粒子於高分子

材料改質

註演講地點在工程館四樓視聽教室

- 21 -

中 央 研 究 院 化 學 研 究 所 INSTITUTE OF CHEMISTRY ACADEMIA SINICA

學 術 演 講 (Chemistry Colloquium)

0106 (四) 1530

唐本忠教授 香港科技大學 (推薦人 陶雨台教授) Light-Emitting Polyenes Polyynes and Polyarylenes

0110 (一) 1530

Prof Rudy Marcus California Institute of Technology USA (推薦人 許昭萍教授) Puzzling phenomena in the fluorescence intermittency of single quantum dots theory and experiment (地點 周大紓講堂)

0114 (五) 1530

Prof Samson A Jenekhe University of Washington USA (推薦人 陶雨台教授) Organic Electronics and Optoelectronics

0125 (二) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Design and Synthesis of Tumor-Targeting Boron Molecules

0126 (三) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Chemistry of Bis-π-allylpalladium for Organic Synthesis

0127 (四) 1530

Prof Teruo Shinmyozu Kyushu University Japan (推薦人 周大新教授) Synthesis Structure and Photochemical Properties of [3n]Cyclophanes (n = 2-6)

0129 (六) 功能性有機化合物的分子建構 小型研討會

0202 (三) 1530

曾志明教授 國立中興大學 (推薦人 陳錦地教授) Addressing grand energy challenges through advanced materials

0203 (四) 1030

江明錫博士 國立清華大學 (Interview Talk) f-ion speciation and d-f interaction toward electrocatalysis LnAn-polyoxotungstates

0218 (五) 1030

Dr Tiow-Gan Ong University of Ottawa Canada The stories of rationally designing a Guanidinate transition metal Complexes and constructing a Stable Carbene with a Novel Topology and Electronic Framework Their Role in Catalysis

0221 (一) 1030

Dr Chi-Wing Tsang University of British Columbia Canada (Interview Talk) Carborane - A New Weakly Coordinating Anion Utilizing P=C bonds in Polymer Chemistry

0225 (五) 1030

Dr Chen-Hsiung Hung National Changhua University of Education Metal Assisted Small Molecule Activations Using Porphyrin Analogues or NNO-Scorpionates as Ligands

0226 (六) 周大紓先生紀念研討會 (Ta-shue Chou Memorial Lecture) (地點 周大紓講堂)

0301 (二) 1030

Dr Wen-Yuan Hsieh Purdue University Synthesis Characterization of monomeric and dimeric Mn complexes

0302 (三) 1400

Prof Peter Chen Swiss Federal Institute of Technology Zurich Switzerland (推薦人 陸天堯教授) Organometallic Chemistry by ESI-MSMS High Valent Oxo Complexes Diolates Metallaoxetanes and Carbenes

0302 (三) 1530

Dr Sarah Thomas Royal Society of Chemistry Publishing Why Where and How (地點 周大紓講堂)

- 22 -

0303 (四) 1430

Prof Pierre Vogel Swiss Federal Institute of Technology Lausanne Switzerland (推薦人 陸天堯教授) Carbohydrate Mimetics Synthesis of C-Disaccharides Imino-C-disaccharides and Analogs and their Biological Properties

0303 (四) 1530

Prof Jay S Siegel University of Zurich Switzerland (推薦人 陸天堯教授) Cheap Fast and Out of Control Rationale for Combinatorial Chemistry

0304-05

第一屆台灣-瑞士雙邊有機合成研討會 Joint Swiss-Taiwanese Meeting ldquoFrontiers in Organic Synthesisrdquo (地點 國立台灣大學 原分所浦大邦演講廳)

0309 (三) Symposium

ldquoPhysical Studies on Photo- or Electron-responsive Materials 0310(四)

1400 陳月枝教授 國立交通大學 (推薦人 陳玉如教授) Title to be annouced

0324(四) 1530

王惠鈞所長 中研院生化所 (推薦人 陳長謙所長) Title to be announced

0407(四) 1530

Prof Richard Taylor University of York (推薦人 陸天堯教授) Title to be announced

0421(四) 1530

Prof Biswanath Das Indian Institute of Chemical Technology India (推薦人 畢爾曼教授) Investigation on Some Fundamental Reactions

地點A108 會議室 Revised on February 21 2005

- 23 -

國立彰化師範大學化學系九十三學年下學期專題演講一覽表

時間 演講者 服務單位 演講題目 地點 推薦人

411

pm 200 林建村

中央研究

院化學所 Electro-optic Materials from OLEDs to photovoltaics

藝薈館

系演講廳 李漢文

418

pm200 梁博煌

中央研究

院生化所 Anti-infectious drug discovery藝薈館

系演講廳 李衍彰

425

pm200 傅傳博

暨南大學

應化系 Development of Magnetic Separation for Analytical Chemistry

藝薈館

系演講廳 林秋薰

59

pm 200 蔡易州

清華大學

化學系 The power of Meal-Metal Multiple bonds

藝薈館

系演講廳 黃瑞賢

516

pm200 孫仲銘

東華大學

化學系 微波抗腫瘤藥物分子庫合成藝薈館

系演講廳 李衍彰

523

pm200 許昭萍

中央研究

院化學所 Electronic Coupling for electron transfer methods and applications

藝薈館

系演講廳 胡景瀚

66

pm200 林敬堯暨南大學

應化系

Tailoring ethynyl substituted porphyrins for photonic electrochemical and nano-related researches

藝薈館

系演講廳 洪政雄

613

pm200 莊琇惠

高雄大學

應化系 Chemical Vapor Deposition of Hafnium Oxonitride as High-k Materials

藝薈館

系演講廳 黃瑞賢

- 24 -

- 25 -

- 26 -

- 27 -

- 28 -

- 29 -

- 30 -

國科會化學推動中心補助學術研討會成果報告表

會議名稱94 年第一次國科會分析化學小組研討會

舉辦日期民國 94 年 2 月 19 日 至 民國 94 年 2 月 19 日

主辦機構國立中醫藥研究所國科會分析化學小組主持人蔡東湖傅明仁

舉辦地點國立中醫藥研究所 聯絡電話 02-2820 1999 ext 8091

出席人數工業界 人學術界(含學生) 110 人 共 110 人

會議重要成果 (如篇幅不足另以A4白紙填寫)

會議經過及議程

0900~0930 報到 0930~0940 主席國科會分析化學小組召集人傅明仁教授 0940~0950 致歡迎詞吳天賞教授 國立中醫藥研究所所長 0950~1040 專題演講食品中 acrylamide 之分析 周薰修博士 藥物食品檢驗局 主持人傅明仁教授 (東吳大學化學系) 1040~1110 茶點時間 1110~1200 專題演講哺乳動物體內 D-乳酸的分析 李仁愛助理教授 台北醫學大學藥學系

主持人蔡東湖教授 (國立中醫藥研究所) 1200~1320 中餐休息 1320~1410 專題演講利用分子轉印技術在人體肝臟細胞中重金屬中毒的飛 行式二次離子質譜儀(TOF-SIMS)離子影像分析研究 麥富德助理教授 中山醫學大學應用化學系

主持人李茂榮教授 (中興大學化學系) 1410~1500 專題演講具奈米結構之鋰電池電極材料研製與電化學析 劉茂煌助理教授 輔大化學系 主持人何國榮教授 (台灣大學化學系) 1500~1530 茶點時間 1530~1630 綜合座談跨領域幹細胞整合計畫

陳甫州教授 台中榮民總醫院 1630- 會議結束

- 31 -

重要收穫及心得

藉由此次會議接觸到來自各方的學術研究同仁也許各自專長的領域不盡相同但

對於分析化學的研究與應用有著彼此相同的努力目標相互的討論及觀摩不僅僅是成果

的分享更進一步帶來跨領域的合作靈感與契機

近來科學的發展已不再只靠一個人或一間實驗室單打獨鬥不同領域的結合發展漸

成顯學資訊與技術的交流也許會產生比預期更巨大的突破以生物科學這一個大的範

疇為例若缺少化學物理與數學的助益恐怕連傳統遺傳學理論都無法發展以古視今

現今各個次領域都擁有其各自的專長就跨領域幹細胞整合計畫而言只包含分生生理

的人才絕對不足分析化學甚至藥學的知識與技術也有其立足之地國科會分析化學小組

研討會就提供了這麼一個交流與合作的園地結合彼此的力量共同思考更遠大的未來 建議

首先先謝謝國科會化學推動中心的支持國科會分析化學小組的努力及國立中醫藥

研究所的配合使此次會議圓滿完成由於報名踴躍就一個一百多人參與的會議來說

此次補助的經費似乎稍嫌不足扣除演講者的講費及與會者的午餐其餘所剩無幾故將

來補助款若能依參與人數的多寡而稍做調整相信主辦機構能夠為與會者提供更好的服務

- 32 -

訪問教授訪問報告表

姓名 Prof Jean-Franccedilois Carpentier

訪問日期民國 94 年 2 月 20 日 至 民國 94 年 2 月 24 日

接待機構 清華大學化學系 接待人 季昀 教授 聯絡電話 (03) 5712956

訪問重要成果 (如篇幅不足另以A4白紙填寫)

1訪問經過

Prof Jean-Franccedilois Carpentier 於 20 日晚間抵達台灣經過一個晚上的短暫

休息星期一早晨赴台大化學系訪問中午與學生共進午餐交換研究心得並瞭解

該校研究狀況星期二赴淡江化學系訪問中午與晚間分別與學生與教員共進午晚

餐交換研究心得並瞭解該校研究近況並談及如何共同申請中法國際合作專案

星期三赴清大化學系訪問中午與該系教員共進午餐交換研究心得並瞭解該校研

究狀況晚間則回返回台北參觀一年一度的台北國際燈會星期四上午安排私人的

自由活動並赴台北市旅遊景點參訪晚間搭乘飛機離台

2演講行程及概要

2 月 21 日台灣大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 22 日淡江大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 23 日清華大學化學系Towards Green Plastics via Stereoselective Polymerization

of rac-Lactide with Discrete Group 3 Metal Complexes

3 重要收獲及心得

瞭解國際學術界在過渡金屬錯合物鑭系稀土錯合物的合成化學與催化反應方面的前

瞻進展狀態

並為建立合適管道執行未來國際學術合作促進國與國間的人員互動人員的相互

了解而努力

4其他意見

- 33 -

訪問教授訪問報告表

- 34 -

訪問教授訪問報告表

- 35 -

訪問教授訪問報告表

姓名Luis A Marky 教授 University of Nebraska Medical Center

訪問日期民國九十三年十二月四日至十一日

接待機構中央研究院 接待人甘魯生 聯絡電話02 2789 8550

訪問重要成果

訪問經過

Luis Marky 教授早年追隨熱力學

大師 Ken Breslauer之後為紐約

市大學及內布拉斯加州立大學

網羅是一位核酸熱力學專家

其論文發表在 J Am Chem Soc

Biochemistry Nucleic Acids Res

Methods Enzymol等知名國際專業雜誌上Marky 教授早在博士後研究員時即與本

人相識研究領域也相近一直有和他合作共同研究核酸的性質及結構的想法

他也對我們台灣非常友善此次有幸得到化學中心的資助得以邀請 Marky 來台

一方面洽談合作事誼一方面和國內學者及學生會談增進交流宣導有關核酸方

面的研究Marky 教授在短短一週內訪問了四所學術機構也以四個不同的題材

發表了四場學術演講次數相當密集把這次訪問推到最高峰幸好 Marky 教授

並不以為苦所以是一次成功的訪問 演講行程及概要

十二月四日星期六抵台

十二月五日星期日轉赴花蓮

十二月六日星期一

訪問國立東華大學

以ldquoDNA Hairpin Loops Folding Ligand Binding and Hydrationrdquo為題發表專題演講

- 36 -

十二月七日星期二

訪問中央研究院

以rdquoThermodynamics of DNA Triplexes Contributions of Base-Triplet Stacks and Base

Methylationrdquo為題發表專題演講

十二月八日星期三

訪問國立中正大學

以ldquoThermodynamics of DNA Triplexes Containing C-glycosides Basesrdquo為題發表專題

演講

十二月九日星期四

參觀故宮博物院

十二月十日星期五

訪問國立清華大學

以ldquoSherlock Holmesrsquos Adventures with Nucleic Acidsrdquo 為題發表專題演講

十二月十一日離台

重要收獲及心得

Marky 教授在信中稱他對四所訪問的學術機構中央研究院國立東華大學國

立中正大學及國立清華大學的教學及研究都有深刻的印也意外的面試了一位東

華生科所的學生準備收為研究生這是一件互惠之事Marky 教授也非常希望

能和我們合作共同研究

其他意見

(請見 Luis Marky 教授信)

- 37 -

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 13 -

朝陽科技大學應用化學系

93 學年度第(二)學期演講公告

未特別註明者演講地點為圖書館一樓演講廳

(學期中演講增刪或更新請以即期演講公告為準)

日期 時間 演 講 者 講 題

31

(二) 130 PM

阮若屈 教授

(中央大學化學工程與材料工

程學系)

Quantum Dot Biotechnology

38

(二) 130 PM

韓肇中 博士

(中央研究院原子與分子科學

研究所)

Diamond New Biomedical Material for the Post-genomic Era

329

(二) 130 PM

孫世勝 博士

(中央研究院化學研究所)

Fluorescent Conjugated Polymer-Based Chemosensors

426

(二)

130 PM

(教學大樓

T1-207)

洪豐裕 教授

(中興大學化學系系主任)

Palladium Catalyzed Coupling Reactions Using Cobalt-Containing Bulky Phosphine Ligands

503

(二)

130 PM

(教學大樓

T1-207)

許嘉生 董事長

(穀盛股份有限公司) 未定

531

(二) 130 PM

洪政雄 教授

(彰化師範大學化學系) 未定

67

(二) 130 PM

何佳安 教授

(暨南國際大學應用化學系)

Applications of Liposomes in Biomedicine and Diagnostics

0614

(二) 130 PM

吳立真 教授

(暨南國際大學應用化學系)未定

- 14 -

台大化學系暨化學研究推動中心

93 學年度第(二)學期演講公告

未特別註明者演講地點為浦大邦講堂

(學期中演講增刪或更新請以即期演講公告為準)

日期 演 講 者 講 題

推薦者

221 (一)

330

Prof Jean-Franccedilois CARPENTIER

(Universiteacute de Rennes 1)

Lanthanide Complexes Incorporating Fluorenyl-based Ligands Unusual Bonding

Modes and Unique initiators for syndiospecific styrene polymerization

陳竹亭 教授

222 (二)

400

Dr Hung-Wen Li (Mcgill Chemistry Canada)

Single-Molecule Mechanistic Study of DNA Repair Enzymes

陳竹亭 教授

223 (三)

330

(化四)

Dr Tsang Chi-Wing (Research Associate Univ of

British Columbia) Utilizing P=C bonds in Polymer Science

劉緒宗 教授

224 (四)

200

Prof Yong Hae Kim Distinguished Professor of

KAIST Dept of Chemistry Korea

Dramatic Stereofacial Control in Asymmetric Syntheses

陸天堯 教授

225 (五)

330

黃乃正 (香港中文大學)

The Chemistry of Hydroxytetraphenylenes

陸天堯 教授

31 (二)

200

Prof Seebach Dieter Synthesis and Structures of β-Peptides

陸天堯 教授

33 (四)

200

(會議室)

Dr Sarah Thomas Dr Robert Parker

Dr David Barr (英國皇家學會)

TBA

陸天堯 教授

33 (四)

315

(化四)

Prof Yoshito Takeuchi (Department of Chemistry

Faculty of ScienceKanagawa University)

Organogermanium ChemistrymdashA Wonderland of Heteroatom Chemistry

陳竹亭 教授

- 15 -

日期 演 講 者 講 題

推薦者

33 (四)

415

(化四)

Prof Wasuke Mori (Department of Chemistry

Faculty of ScienceKanagawa University)

Microporous Materials of Metal Carboxylates Gas-occlusion Properties Inclusion Complex

Formation with Organic Polymer and Catalytic Activities for Hydrogenation of Olefins

陳竹亭 教授

345 (五六)

全日

台灣瑞士雙邊有機合成研討會

陸天堯 教授

38 (二)

200

Prof Hung-Wen Liu Learning natures strategies for making unusual sugars

陸天堯 教授

310 (四)

200

Prof Luisa De Cola (Chair of Molecular

Photonic Materials Van t Hoff Institute for Molecular

Sciences (HIMS) Univ of Amsterdam The

Netherlands)

Covalently and NonCovalently Linked Molecular Wires

陸天堯 教授

310 (四)

330

Prof Jeffery I Zink (UCLA)

Nano-Structured Sol-Gel Materials and Functional Molecular Machines

陳昭岑 教授

317 (四)

330

Prof Atsunori Mori (東京工業大學資源化學研

究所副教授)

Transition Metal-Catalyzed Reactions of Alkynes and Heteroaromatic

Compounds

陸天堯 教授

325 (五)

330

Prof G Mehta TBA

陸天堯 教授

4 8 (五)

330

Prof Richard Taylor TBA

陸天堯 教授

415 (五)

200

Prof Oshio (Tsukuba University)

High-Spin molecules toward single-molecule magnets

彭旭明 教授

415 (五)

330

黃迪靖 博士 (國家同步輻射研究中心副

研究員)

Charge and Orbital Ordering in Transition-Metal Oxides

劉如熹 教授

- 16 -

日期 演 講 者 講 題

推薦者

422 (五)

330

林建村 博士 (中研院化學所)

Electro-optic Materialsfrom OLEDs to Photovoltaics

陸天堯 教授

429 (五)

330

Prof Vijay nair TBA

陸天堯 教授

56 (五)

330

林寬鋸 教授 (中興大學化學系)

1D-Semiconducting Metal OxidesSynthesis and Applications

陸天堯 教授

520 (五)

330

許千樹 教授 (交通大學應用化學系)

Nanostructure Enhanced Polymer Light Emitting Diodes

陸天堯 教授

63 (五)

330

孫仲銘 教授 (東華大學化研所)

微波合成抑制新生血管增生先導藥物分子庫

陸天堯 教授

610 (五)

330

蔡明道 博士 (中央研究院基因體中心)

TBA

陸天堯 教授

- 17 -

93 學年第二學期 國立東華大學化學系專題演講

週次 日期 演講者 演講題目 邀請者

3 311 呂宗昕 教授 台灣大學化工系

奈米科技與奈米世界 羅幼旭

4 318 林志彪 教授 東華大學化學系

TBA 化學系

5 325 曹英彥 博士 中油公司

Preparation Characterization and Applications of Zeolite-supported

Subnano Metallic Particles

林志彪

7 48 陳慶年 博士 NIH (USA)

Magnetic Resonance Imaging ndash from a chemistrsquos perspective

錢嘉琳

8 415 Dr Wei Gang

Metal Based Self-Assembly in Supramolecular Chemistry

化學系

9 422 裘性天 教授 交通大學應化系

Growth of Inorganic Solids at the Interphase

林志彪

13 520 王雲銘 教授 高醫應化系

Synthesis and characterization of bio-activated contrast agents for Magnetic Resonance Imaging

劉鎮維

14 527 Prof John Z H ZhangNew York Univ

New Quantum Computational Study of Proteins

張秀華

15 63 林震煌 教授 臺灣師範大學化學系

毛細管電泳線上濃縮技術的發展

與應用 何彥鵬

16 610 李衍彰 教授 彰化師範大學化學系

Synthesis of the natural products as anti-tumor agents

註每週五下午 310pm-500pm

理二講堂

- 18 -

淡江大學化學系 93 學年度第(二)學期演講公告 演講時間每週一下午 210~400演講地點教育館 (Q-409)

日期 時間 演講者 演講題目

221(一) 210~400 傅達勳 危險物及毒化物之認識與運作

307(一) 210~400 Prof Yoshito Takeuchi(Kanagawa University)

Organogermanium Chemistry-A Wonderland of Heteroatom Chemistry

314(一) 210~400 張增輝教授 (美國紐約大學)

321(一) 210~400 施增廉 (淡江大學化學系)

Syntheses of a New Trihydroxy Piperidine Derivative Quercitols and Azepanes for Glycosidase Inhibitors from D-(-)-quinic Acid

328(一) 210~400 陳振漢

(國防醫學院生物晶片

中心)

蛋白質體技術之發展與應用

418(一) 210~400 林唯芳教授 (台大材料系)

分子奈米材料及元件應用

425(一) 210~400 刁維光副教授 (交大應化所)

紫質分子在奈米結構中的光物理與光化學

502(一) 210~400 楊禮明教授 (中國醫藥研究所)

509(一) 210~400 劉廣定教授 (台大化學系)

永續化學與液晶製備

516(一) 210~400 林倫年副研究員 (台大凝態中心)

523(一) 210~400 翁啟惠院士 (中研院)

化學生物與後基因時代之研究

530(一) 210~400 曾惠芳助理教授 (暨大應化系)

毛細管電泳在生化分析上的應用

606(一) 210~400 侯敦仁助理教授 (中央大學化學系)

合環歧化(Ring-Closing Metathesis)之合成

應用

613(一) 210~400 謝明發研究員 (工研院)

The polymeric nano-particles for drug delivery vehicles

- 19 -

中原大學化學系

93 學年度下學期-「學術專題演講」日程表

時間每週三 1500-1630

地點理學館 1樓講堂

主持人葉華光老師 聯絡電話03-2653305 日期 講員 標題 負責

實驗室

223 休息

32 中研院化學研究

所孫世勝博士 Fluorescent Conjugated Polymer-Based Chemosensors

楊千金老師

Lab

39 休息

316 中興大學化學系

林寬鋸教授

未定 葉華光老師

Lab

323 休息 (運動會)

330 南台科技大學

林鴻儒教授 Porous Scaffolds for Bone Tissue Engineering

李世琛老師

Lab

46 休息 (校外實習週)

413 台大醫學院

藥學研究所

李水盛教授

未定 蔡宗燕老師

Lab

420 休息 (期中考)

427 國立陽明大學

周成功教授 How to Struggle with a Novel Gene in the Genome Era

葉瑞銘老師

Lab

54 東吳大學

傅明仁教授 Drug analysis by LC-ES-MS

蔡祐輔老師

Lab

511 休息

518 休息

525 國立成功大學

林弘萍教授

中孔洞氧化矽和碳材料合成與應用 江彰吉老師

Lab

61 華邦電子

周良奎經理

The application of CMP in IC Fabrication

陳玉惠老師

Lab

68 清華大學化學系

劉行讓教授 Reductive Decyanation A Powerful Tool in Organic Synthesis

黃悉雅老師

Lab

615 休息

備註1 請各場次負責的實驗室於演講前做好教具測試 2 自本學期起各場次負責之實驗室僅提供茶水不再準備點心

- 20 -

國立嘉義大學應用化學系 九十三學年度第二學期演講公告

(學期中演講增刪或更新請以即期演講公告為準)

日期 時間 演 講 者 講 題

223

(三) pm1520

~1700 陳勁初主任 (葡萄王生技中心主任)

生技保健食品開發

302

(三) pm1520

~1700 陳泊余教授(高雄醫學大學 醫藥暨應用化學系)

The application of ionic liquids in electrochemistry

316

(三) Pm1520

~1700 陳焜銘教授 (師範大學化學系)

The development of camphor derived chiral ligands for asymmetric reactions

323

(三) pm1520

~1700 何佳安教授 (暨南大學化學系)

Liposome in Diagnostic Microbiology

330

(三) pm1330

~1510 夏克山博士 (國家衛生研究院)

Discovery of New Stem Cell Mobilizers Antagonizing CXCR4 Chemokine Receptor

406

(三) pm1520

~1700 陳幹男教授 (淡江大學化學系)

Hybridization of Aqueous-based Polymers

413

(三) pm1520

~1700 汪炳鈞教授 (清華大學化學系)

Asymmetric Synthesis Using Camphor Derived Chiral Ligands

504

(三) pm1520

~1700 林震煌教授 (師範大學化學系)

毛細管電泳線上濃縮技術的發展

與應用

427

(三) pm1520

~1700 劉英麟教授 (中原大學化工系)

應用二氧化矽奈米粒子於高分子

材料改質

註演講地點在工程館四樓視聽教室

- 21 -

中 央 研 究 院 化 學 研 究 所 INSTITUTE OF CHEMISTRY ACADEMIA SINICA

學 術 演 講 (Chemistry Colloquium)

0106 (四) 1530

唐本忠教授 香港科技大學 (推薦人 陶雨台教授) Light-Emitting Polyenes Polyynes and Polyarylenes

0110 (一) 1530

Prof Rudy Marcus California Institute of Technology USA (推薦人 許昭萍教授) Puzzling phenomena in the fluorescence intermittency of single quantum dots theory and experiment (地點 周大紓講堂)

0114 (五) 1530

Prof Samson A Jenekhe University of Washington USA (推薦人 陶雨台教授) Organic Electronics and Optoelectronics

0125 (二) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Design and Synthesis of Tumor-Targeting Boron Molecules

0126 (三) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Chemistry of Bis-π-allylpalladium for Organic Synthesis

0127 (四) 1530

Prof Teruo Shinmyozu Kyushu University Japan (推薦人 周大新教授) Synthesis Structure and Photochemical Properties of [3n]Cyclophanes (n = 2-6)

0129 (六) 功能性有機化合物的分子建構 小型研討會

0202 (三) 1530

曾志明教授 國立中興大學 (推薦人 陳錦地教授) Addressing grand energy challenges through advanced materials

0203 (四) 1030

江明錫博士 國立清華大學 (Interview Talk) f-ion speciation and d-f interaction toward electrocatalysis LnAn-polyoxotungstates

0218 (五) 1030

Dr Tiow-Gan Ong University of Ottawa Canada The stories of rationally designing a Guanidinate transition metal Complexes and constructing a Stable Carbene with a Novel Topology and Electronic Framework Their Role in Catalysis

0221 (一) 1030

Dr Chi-Wing Tsang University of British Columbia Canada (Interview Talk) Carborane - A New Weakly Coordinating Anion Utilizing P=C bonds in Polymer Chemistry

0225 (五) 1030

Dr Chen-Hsiung Hung National Changhua University of Education Metal Assisted Small Molecule Activations Using Porphyrin Analogues or NNO-Scorpionates as Ligands

0226 (六) 周大紓先生紀念研討會 (Ta-shue Chou Memorial Lecture) (地點 周大紓講堂)

0301 (二) 1030

Dr Wen-Yuan Hsieh Purdue University Synthesis Characterization of monomeric and dimeric Mn complexes

0302 (三) 1400

Prof Peter Chen Swiss Federal Institute of Technology Zurich Switzerland (推薦人 陸天堯教授) Organometallic Chemistry by ESI-MSMS High Valent Oxo Complexes Diolates Metallaoxetanes and Carbenes

0302 (三) 1530

Dr Sarah Thomas Royal Society of Chemistry Publishing Why Where and How (地點 周大紓講堂)

- 22 -

0303 (四) 1430

Prof Pierre Vogel Swiss Federal Institute of Technology Lausanne Switzerland (推薦人 陸天堯教授) Carbohydrate Mimetics Synthesis of C-Disaccharides Imino-C-disaccharides and Analogs and their Biological Properties

0303 (四) 1530

Prof Jay S Siegel University of Zurich Switzerland (推薦人 陸天堯教授) Cheap Fast and Out of Control Rationale for Combinatorial Chemistry

0304-05

第一屆台灣-瑞士雙邊有機合成研討會 Joint Swiss-Taiwanese Meeting ldquoFrontiers in Organic Synthesisrdquo (地點 國立台灣大學 原分所浦大邦演講廳)

0309 (三) Symposium

ldquoPhysical Studies on Photo- or Electron-responsive Materials 0310(四)

1400 陳月枝教授 國立交通大學 (推薦人 陳玉如教授) Title to be annouced

0324(四) 1530

王惠鈞所長 中研院生化所 (推薦人 陳長謙所長) Title to be announced

0407(四) 1530

Prof Richard Taylor University of York (推薦人 陸天堯教授) Title to be announced

0421(四) 1530

Prof Biswanath Das Indian Institute of Chemical Technology India (推薦人 畢爾曼教授) Investigation on Some Fundamental Reactions

地點A108 會議室 Revised on February 21 2005

- 23 -

國立彰化師範大學化學系九十三學年下學期專題演講一覽表

時間 演講者 服務單位 演講題目 地點 推薦人

411

pm 200 林建村

中央研究

院化學所 Electro-optic Materials from OLEDs to photovoltaics

藝薈館

系演講廳 李漢文

418

pm200 梁博煌

中央研究

院生化所 Anti-infectious drug discovery藝薈館

系演講廳 李衍彰

425

pm200 傅傳博

暨南大學

應化系 Development of Magnetic Separation for Analytical Chemistry

藝薈館

系演講廳 林秋薰

59

pm 200 蔡易州

清華大學

化學系 The power of Meal-Metal Multiple bonds

藝薈館

系演講廳 黃瑞賢

516

pm200 孫仲銘

東華大學

化學系 微波抗腫瘤藥物分子庫合成藝薈館

系演講廳 李衍彰

523

pm200 許昭萍

中央研究

院化學所 Electronic Coupling for electron transfer methods and applications

藝薈館

系演講廳 胡景瀚

66

pm200 林敬堯暨南大學

應化系

Tailoring ethynyl substituted porphyrins for photonic electrochemical and nano-related researches

藝薈館

系演講廳 洪政雄

613

pm200 莊琇惠

高雄大學

應化系 Chemical Vapor Deposition of Hafnium Oxonitride as High-k Materials

藝薈館

系演講廳 黃瑞賢

- 24 -

- 25 -

- 26 -

- 27 -

- 28 -

- 29 -

- 30 -

國科會化學推動中心補助學術研討會成果報告表

會議名稱94 年第一次國科會分析化學小組研討會

舉辦日期民國 94 年 2 月 19 日 至 民國 94 年 2 月 19 日

主辦機構國立中醫藥研究所國科會分析化學小組主持人蔡東湖傅明仁

舉辦地點國立中醫藥研究所 聯絡電話 02-2820 1999 ext 8091

出席人數工業界 人學術界(含學生) 110 人 共 110 人

會議重要成果 (如篇幅不足另以A4白紙填寫)

會議經過及議程

0900~0930 報到 0930~0940 主席國科會分析化學小組召集人傅明仁教授 0940~0950 致歡迎詞吳天賞教授 國立中醫藥研究所所長 0950~1040 專題演講食品中 acrylamide 之分析 周薰修博士 藥物食品檢驗局 主持人傅明仁教授 (東吳大學化學系) 1040~1110 茶點時間 1110~1200 專題演講哺乳動物體內 D-乳酸的分析 李仁愛助理教授 台北醫學大學藥學系

主持人蔡東湖教授 (國立中醫藥研究所) 1200~1320 中餐休息 1320~1410 專題演講利用分子轉印技術在人體肝臟細胞中重金屬中毒的飛 行式二次離子質譜儀(TOF-SIMS)離子影像分析研究 麥富德助理教授 中山醫學大學應用化學系

主持人李茂榮教授 (中興大學化學系) 1410~1500 專題演講具奈米結構之鋰電池電極材料研製與電化學析 劉茂煌助理教授 輔大化學系 主持人何國榮教授 (台灣大學化學系) 1500~1530 茶點時間 1530~1630 綜合座談跨領域幹細胞整合計畫

陳甫州教授 台中榮民總醫院 1630- 會議結束

- 31 -

重要收穫及心得

藉由此次會議接觸到來自各方的學術研究同仁也許各自專長的領域不盡相同但

對於分析化學的研究與應用有著彼此相同的努力目標相互的討論及觀摩不僅僅是成果

的分享更進一步帶來跨領域的合作靈感與契機

近來科學的發展已不再只靠一個人或一間實驗室單打獨鬥不同領域的結合發展漸

成顯學資訊與技術的交流也許會產生比預期更巨大的突破以生物科學這一個大的範

疇為例若缺少化學物理與數學的助益恐怕連傳統遺傳學理論都無法發展以古視今

現今各個次領域都擁有其各自的專長就跨領域幹細胞整合計畫而言只包含分生生理

的人才絕對不足分析化學甚至藥學的知識與技術也有其立足之地國科會分析化學小組

研討會就提供了這麼一個交流與合作的園地結合彼此的力量共同思考更遠大的未來 建議

首先先謝謝國科會化學推動中心的支持國科會分析化學小組的努力及國立中醫藥

研究所的配合使此次會議圓滿完成由於報名踴躍就一個一百多人參與的會議來說

此次補助的經費似乎稍嫌不足扣除演講者的講費及與會者的午餐其餘所剩無幾故將

來補助款若能依參與人數的多寡而稍做調整相信主辦機構能夠為與會者提供更好的服務

- 32 -

訪問教授訪問報告表

姓名 Prof Jean-Franccedilois Carpentier

訪問日期民國 94 年 2 月 20 日 至 民國 94 年 2 月 24 日

接待機構 清華大學化學系 接待人 季昀 教授 聯絡電話 (03) 5712956

訪問重要成果 (如篇幅不足另以A4白紙填寫)

1訪問經過

Prof Jean-Franccedilois Carpentier 於 20 日晚間抵達台灣經過一個晚上的短暫

休息星期一早晨赴台大化學系訪問中午與學生共進午餐交換研究心得並瞭解

該校研究狀況星期二赴淡江化學系訪問中午與晚間分別與學生與教員共進午晚

餐交換研究心得並瞭解該校研究近況並談及如何共同申請中法國際合作專案

星期三赴清大化學系訪問中午與該系教員共進午餐交換研究心得並瞭解該校研

究狀況晚間則回返回台北參觀一年一度的台北國際燈會星期四上午安排私人的

自由活動並赴台北市旅遊景點參訪晚間搭乘飛機離台

2演講行程及概要

2 月 21 日台灣大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 22 日淡江大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 23 日清華大學化學系Towards Green Plastics via Stereoselective Polymerization

of rac-Lactide with Discrete Group 3 Metal Complexes

3 重要收獲及心得

瞭解國際學術界在過渡金屬錯合物鑭系稀土錯合物的合成化學與催化反應方面的前

瞻進展狀態

並為建立合適管道執行未來國際學術合作促進國與國間的人員互動人員的相互

了解而努力

4其他意見

- 33 -

訪問教授訪問報告表

- 34 -

訪問教授訪問報告表

- 35 -

訪問教授訪問報告表

姓名Luis A Marky 教授 University of Nebraska Medical Center

訪問日期民國九十三年十二月四日至十一日

接待機構中央研究院 接待人甘魯生 聯絡電話02 2789 8550

訪問重要成果

訪問經過

Luis Marky 教授早年追隨熱力學

大師 Ken Breslauer之後為紐約

市大學及內布拉斯加州立大學

網羅是一位核酸熱力學專家

其論文發表在 J Am Chem Soc

Biochemistry Nucleic Acids Res

Methods Enzymol等知名國際專業雜誌上Marky 教授早在博士後研究員時即與本

人相識研究領域也相近一直有和他合作共同研究核酸的性質及結構的想法

他也對我們台灣非常友善此次有幸得到化學中心的資助得以邀請 Marky 來台

一方面洽談合作事誼一方面和國內學者及學生會談增進交流宣導有關核酸方

面的研究Marky 教授在短短一週內訪問了四所學術機構也以四個不同的題材

發表了四場學術演講次數相當密集把這次訪問推到最高峰幸好 Marky 教授

並不以為苦所以是一次成功的訪問 演講行程及概要

十二月四日星期六抵台

十二月五日星期日轉赴花蓮

十二月六日星期一

訪問國立東華大學

以ldquoDNA Hairpin Loops Folding Ligand Binding and Hydrationrdquo為題發表專題演講

- 36 -

十二月七日星期二

訪問中央研究院

以rdquoThermodynamics of DNA Triplexes Contributions of Base-Triplet Stacks and Base

Methylationrdquo為題發表專題演講

十二月八日星期三

訪問國立中正大學

以ldquoThermodynamics of DNA Triplexes Containing C-glycosides Basesrdquo為題發表專題

演講

十二月九日星期四

參觀故宮博物院

十二月十日星期五

訪問國立清華大學

以ldquoSherlock Holmesrsquos Adventures with Nucleic Acidsrdquo 為題發表專題演講

十二月十一日離台

重要收獲及心得

Marky 教授在信中稱他對四所訪問的學術機構中央研究院國立東華大學國

立中正大學及國立清華大學的教學及研究都有深刻的印也意外的面試了一位東

華生科所的學生準備收為研究生這是一件互惠之事Marky 教授也非常希望

能和我們合作共同研究

其他意見

(請見 Luis Marky 教授信)

- 37 -

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 14 -

台大化學系暨化學研究推動中心

93 學年度第(二)學期演講公告

未特別註明者演講地點為浦大邦講堂

(學期中演講增刪或更新請以即期演講公告為準)

日期 演 講 者 講 題

推薦者

221 (一)

330

Prof Jean-Franccedilois CARPENTIER

(Universiteacute de Rennes 1)

Lanthanide Complexes Incorporating Fluorenyl-based Ligands Unusual Bonding

Modes and Unique initiators for syndiospecific styrene polymerization

陳竹亭 教授

222 (二)

400

Dr Hung-Wen Li (Mcgill Chemistry Canada)

Single-Molecule Mechanistic Study of DNA Repair Enzymes

陳竹亭 教授

223 (三)

330

(化四)

Dr Tsang Chi-Wing (Research Associate Univ of

British Columbia) Utilizing P=C bonds in Polymer Science

劉緒宗 教授

224 (四)

200

Prof Yong Hae Kim Distinguished Professor of

KAIST Dept of Chemistry Korea

Dramatic Stereofacial Control in Asymmetric Syntheses

陸天堯 教授

225 (五)

330

黃乃正 (香港中文大學)

The Chemistry of Hydroxytetraphenylenes

陸天堯 教授

31 (二)

200

Prof Seebach Dieter Synthesis and Structures of β-Peptides

陸天堯 教授

33 (四)

200

(會議室)

Dr Sarah Thomas Dr Robert Parker

Dr David Barr (英國皇家學會)

TBA

陸天堯 教授

33 (四)

315

(化四)

Prof Yoshito Takeuchi (Department of Chemistry

Faculty of ScienceKanagawa University)

Organogermanium ChemistrymdashA Wonderland of Heteroatom Chemistry

陳竹亭 教授

- 15 -

日期 演 講 者 講 題

推薦者

33 (四)

415

(化四)

Prof Wasuke Mori (Department of Chemistry

Faculty of ScienceKanagawa University)

Microporous Materials of Metal Carboxylates Gas-occlusion Properties Inclusion Complex

Formation with Organic Polymer and Catalytic Activities for Hydrogenation of Olefins

陳竹亭 教授

345 (五六)

全日

台灣瑞士雙邊有機合成研討會

陸天堯 教授

38 (二)

200

Prof Hung-Wen Liu Learning natures strategies for making unusual sugars

陸天堯 教授

310 (四)

200

Prof Luisa De Cola (Chair of Molecular

Photonic Materials Van t Hoff Institute for Molecular

Sciences (HIMS) Univ of Amsterdam The

Netherlands)

Covalently and NonCovalently Linked Molecular Wires

陸天堯 教授

310 (四)

330

Prof Jeffery I Zink (UCLA)

Nano-Structured Sol-Gel Materials and Functional Molecular Machines

陳昭岑 教授

317 (四)

330

Prof Atsunori Mori (東京工業大學資源化學研

究所副教授)

Transition Metal-Catalyzed Reactions of Alkynes and Heteroaromatic

Compounds

陸天堯 教授

325 (五)

330

Prof G Mehta TBA

陸天堯 教授

4 8 (五)

330

Prof Richard Taylor TBA

陸天堯 教授

415 (五)

200

Prof Oshio (Tsukuba University)

High-Spin molecules toward single-molecule magnets

彭旭明 教授

415 (五)

330

黃迪靖 博士 (國家同步輻射研究中心副

研究員)

Charge and Orbital Ordering in Transition-Metal Oxides

劉如熹 教授

- 16 -

日期 演 講 者 講 題

推薦者

422 (五)

330

林建村 博士 (中研院化學所)

Electro-optic Materialsfrom OLEDs to Photovoltaics

陸天堯 教授

429 (五)

330

Prof Vijay nair TBA

陸天堯 教授

56 (五)

330

林寬鋸 教授 (中興大學化學系)

1D-Semiconducting Metal OxidesSynthesis and Applications

陸天堯 教授

520 (五)

330

許千樹 教授 (交通大學應用化學系)

Nanostructure Enhanced Polymer Light Emitting Diodes

陸天堯 教授

63 (五)

330

孫仲銘 教授 (東華大學化研所)

微波合成抑制新生血管增生先導藥物分子庫

陸天堯 教授

610 (五)

330

蔡明道 博士 (中央研究院基因體中心)

TBA

陸天堯 教授

- 17 -

93 學年第二學期 國立東華大學化學系專題演講

週次 日期 演講者 演講題目 邀請者

3 311 呂宗昕 教授 台灣大學化工系

奈米科技與奈米世界 羅幼旭

4 318 林志彪 教授 東華大學化學系

TBA 化學系

5 325 曹英彥 博士 中油公司

Preparation Characterization and Applications of Zeolite-supported

Subnano Metallic Particles

林志彪

7 48 陳慶年 博士 NIH (USA)

Magnetic Resonance Imaging ndash from a chemistrsquos perspective

錢嘉琳

8 415 Dr Wei Gang

Metal Based Self-Assembly in Supramolecular Chemistry

化學系

9 422 裘性天 教授 交通大學應化系

Growth of Inorganic Solids at the Interphase

林志彪

13 520 王雲銘 教授 高醫應化系

Synthesis and characterization of bio-activated contrast agents for Magnetic Resonance Imaging

劉鎮維

14 527 Prof John Z H ZhangNew York Univ

New Quantum Computational Study of Proteins

張秀華

15 63 林震煌 教授 臺灣師範大學化學系

毛細管電泳線上濃縮技術的發展

與應用 何彥鵬

16 610 李衍彰 教授 彰化師範大學化學系

Synthesis of the natural products as anti-tumor agents

註每週五下午 310pm-500pm

理二講堂

- 18 -

淡江大學化學系 93 學年度第(二)學期演講公告 演講時間每週一下午 210~400演講地點教育館 (Q-409)

日期 時間 演講者 演講題目

221(一) 210~400 傅達勳 危險物及毒化物之認識與運作

307(一) 210~400 Prof Yoshito Takeuchi(Kanagawa University)

Organogermanium Chemistry-A Wonderland of Heteroatom Chemistry

314(一) 210~400 張增輝教授 (美國紐約大學)

321(一) 210~400 施增廉 (淡江大學化學系)

Syntheses of a New Trihydroxy Piperidine Derivative Quercitols and Azepanes for Glycosidase Inhibitors from D-(-)-quinic Acid

328(一) 210~400 陳振漢

(國防醫學院生物晶片

中心)

蛋白質體技術之發展與應用

418(一) 210~400 林唯芳教授 (台大材料系)

分子奈米材料及元件應用

425(一) 210~400 刁維光副教授 (交大應化所)

紫質分子在奈米結構中的光物理與光化學

502(一) 210~400 楊禮明教授 (中國醫藥研究所)

509(一) 210~400 劉廣定教授 (台大化學系)

永續化學與液晶製備

516(一) 210~400 林倫年副研究員 (台大凝態中心)

523(一) 210~400 翁啟惠院士 (中研院)

化學生物與後基因時代之研究

530(一) 210~400 曾惠芳助理教授 (暨大應化系)

毛細管電泳在生化分析上的應用

606(一) 210~400 侯敦仁助理教授 (中央大學化學系)

合環歧化(Ring-Closing Metathesis)之合成

應用

613(一) 210~400 謝明發研究員 (工研院)

The polymeric nano-particles for drug delivery vehicles

- 19 -

中原大學化學系

93 學年度下學期-「學術專題演講」日程表

時間每週三 1500-1630

地點理學館 1樓講堂

主持人葉華光老師 聯絡電話03-2653305 日期 講員 標題 負責

實驗室

223 休息

32 中研院化學研究

所孫世勝博士 Fluorescent Conjugated Polymer-Based Chemosensors

楊千金老師

Lab

39 休息

316 中興大學化學系

林寬鋸教授

未定 葉華光老師

Lab

323 休息 (運動會)

330 南台科技大學

林鴻儒教授 Porous Scaffolds for Bone Tissue Engineering

李世琛老師

Lab

46 休息 (校外實習週)

413 台大醫學院

藥學研究所

李水盛教授

未定 蔡宗燕老師

Lab

420 休息 (期中考)

427 國立陽明大學

周成功教授 How to Struggle with a Novel Gene in the Genome Era

葉瑞銘老師

Lab

54 東吳大學

傅明仁教授 Drug analysis by LC-ES-MS

蔡祐輔老師

Lab

511 休息

518 休息

525 國立成功大學

林弘萍教授

中孔洞氧化矽和碳材料合成與應用 江彰吉老師

Lab

61 華邦電子

周良奎經理

The application of CMP in IC Fabrication

陳玉惠老師

Lab

68 清華大學化學系

劉行讓教授 Reductive Decyanation A Powerful Tool in Organic Synthesis

黃悉雅老師

Lab

615 休息

備註1 請各場次負責的實驗室於演講前做好教具測試 2 自本學期起各場次負責之實驗室僅提供茶水不再準備點心

- 20 -

國立嘉義大學應用化學系 九十三學年度第二學期演講公告

(學期中演講增刪或更新請以即期演講公告為準)

日期 時間 演 講 者 講 題

223

(三) pm1520

~1700 陳勁初主任 (葡萄王生技中心主任)

生技保健食品開發

302

(三) pm1520

~1700 陳泊余教授(高雄醫學大學 醫藥暨應用化學系)

The application of ionic liquids in electrochemistry

316

(三) Pm1520

~1700 陳焜銘教授 (師範大學化學系)

The development of camphor derived chiral ligands for asymmetric reactions

323

(三) pm1520

~1700 何佳安教授 (暨南大學化學系)

Liposome in Diagnostic Microbiology

330

(三) pm1330

~1510 夏克山博士 (國家衛生研究院)

Discovery of New Stem Cell Mobilizers Antagonizing CXCR4 Chemokine Receptor

406

(三) pm1520

~1700 陳幹男教授 (淡江大學化學系)

Hybridization of Aqueous-based Polymers

413

(三) pm1520

~1700 汪炳鈞教授 (清華大學化學系)

Asymmetric Synthesis Using Camphor Derived Chiral Ligands

504

(三) pm1520

~1700 林震煌教授 (師範大學化學系)

毛細管電泳線上濃縮技術的發展

與應用

427

(三) pm1520

~1700 劉英麟教授 (中原大學化工系)

應用二氧化矽奈米粒子於高分子

材料改質

註演講地點在工程館四樓視聽教室

- 21 -

中 央 研 究 院 化 學 研 究 所 INSTITUTE OF CHEMISTRY ACADEMIA SINICA

學 術 演 講 (Chemistry Colloquium)

0106 (四) 1530

唐本忠教授 香港科技大學 (推薦人 陶雨台教授) Light-Emitting Polyenes Polyynes and Polyarylenes

0110 (一) 1530

Prof Rudy Marcus California Institute of Technology USA (推薦人 許昭萍教授) Puzzling phenomena in the fluorescence intermittency of single quantum dots theory and experiment (地點 周大紓講堂)

0114 (五) 1530

Prof Samson A Jenekhe University of Washington USA (推薦人 陶雨台教授) Organic Electronics and Optoelectronics

0125 (二) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Design and Synthesis of Tumor-Targeting Boron Molecules

0126 (三) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Chemistry of Bis-π-allylpalladium for Organic Synthesis

0127 (四) 1530

Prof Teruo Shinmyozu Kyushu University Japan (推薦人 周大新教授) Synthesis Structure and Photochemical Properties of [3n]Cyclophanes (n = 2-6)

0129 (六) 功能性有機化合物的分子建構 小型研討會

0202 (三) 1530

曾志明教授 國立中興大學 (推薦人 陳錦地教授) Addressing grand energy challenges through advanced materials

0203 (四) 1030

江明錫博士 國立清華大學 (Interview Talk) f-ion speciation and d-f interaction toward electrocatalysis LnAn-polyoxotungstates

0218 (五) 1030

Dr Tiow-Gan Ong University of Ottawa Canada The stories of rationally designing a Guanidinate transition metal Complexes and constructing a Stable Carbene with a Novel Topology and Electronic Framework Their Role in Catalysis

0221 (一) 1030

Dr Chi-Wing Tsang University of British Columbia Canada (Interview Talk) Carborane - A New Weakly Coordinating Anion Utilizing P=C bonds in Polymer Chemistry

0225 (五) 1030

Dr Chen-Hsiung Hung National Changhua University of Education Metal Assisted Small Molecule Activations Using Porphyrin Analogues or NNO-Scorpionates as Ligands

0226 (六) 周大紓先生紀念研討會 (Ta-shue Chou Memorial Lecture) (地點 周大紓講堂)

0301 (二) 1030

Dr Wen-Yuan Hsieh Purdue University Synthesis Characterization of monomeric and dimeric Mn complexes

0302 (三) 1400

Prof Peter Chen Swiss Federal Institute of Technology Zurich Switzerland (推薦人 陸天堯教授) Organometallic Chemistry by ESI-MSMS High Valent Oxo Complexes Diolates Metallaoxetanes and Carbenes

0302 (三) 1530

Dr Sarah Thomas Royal Society of Chemistry Publishing Why Where and How (地點 周大紓講堂)

- 22 -

0303 (四) 1430

Prof Pierre Vogel Swiss Federal Institute of Technology Lausanne Switzerland (推薦人 陸天堯教授) Carbohydrate Mimetics Synthesis of C-Disaccharides Imino-C-disaccharides and Analogs and their Biological Properties

0303 (四) 1530

Prof Jay S Siegel University of Zurich Switzerland (推薦人 陸天堯教授) Cheap Fast and Out of Control Rationale for Combinatorial Chemistry

0304-05

第一屆台灣-瑞士雙邊有機合成研討會 Joint Swiss-Taiwanese Meeting ldquoFrontiers in Organic Synthesisrdquo (地點 國立台灣大學 原分所浦大邦演講廳)

0309 (三) Symposium

ldquoPhysical Studies on Photo- or Electron-responsive Materials 0310(四)

1400 陳月枝教授 國立交通大學 (推薦人 陳玉如教授) Title to be annouced

0324(四) 1530

王惠鈞所長 中研院生化所 (推薦人 陳長謙所長) Title to be announced

0407(四) 1530

Prof Richard Taylor University of York (推薦人 陸天堯教授) Title to be announced

0421(四) 1530

Prof Biswanath Das Indian Institute of Chemical Technology India (推薦人 畢爾曼教授) Investigation on Some Fundamental Reactions

地點A108 會議室 Revised on February 21 2005

- 23 -

國立彰化師範大學化學系九十三學年下學期專題演講一覽表

時間 演講者 服務單位 演講題目 地點 推薦人

411

pm 200 林建村

中央研究

院化學所 Electro-optic Materials from OLEDs to photovoltaics

藝薈館

系演講廳 李漢文

418

pm200 梁博煌

中央研究

院生化所 Anti-infectious drug discovery藝薈館

系演講廳 李衍彰

425

pm200 傅傳博

暨南大學

應化系 Development of Magnetic Separation for Analytical Chemistry

藝薈館

系演講廳 林秋薰

59

pm 200 蔡易州

清華大學

化學系 The power of Meal-Metal Multiple bonds

藝薈館

系演講廳 黃瑞賢

516

pm200 孫仲銘

東華大學

化學系 微波抗腫瘤藥物分子庫合成藝薈館

系演講廳 李衍彰

523

pm200 許昭萍

中央研究

院化學所 Electronic Coupling for electron transfer methods and applications

藝薈館

系演講廳 胡景瀚

66

pm200 林敬堯暨南大學

應化系

Tailoring ethynyl substituted porphyrins for photonic electrochemical and nano-related researches

藝薈館

系演講廳 洪政雄

613

pm200 莊琇惠

高雄大學

應化系 Chemical Vapor Deposition of Hafnium Oxonitride as High-k Materials

藝薈館

系演講廳 黃瑞賢

- 24 -

- 25 -

- 26 -

- 27 -

- 28 -

- 29 -

- 30 -

國科會化學推動中心補助學術研討會成果報告表

會議名稱94 年第一次國科會分析化學小組研討會

舉辦日期民國 94 年 2 月 19 日 至 民國 94 年 2 月 19 日

主辦機構國立中醫藥研究所國科會分析化學小組主持人蔡東湖傅明仁

舉辦地點國立中醫藥研究所 聯絡電話 02-2820 1999 ext 8091

出席人數工業界 人學術界(含學生) 110 人 共 110 人

會議重要成果 (如篇幅不足另以A4白紙填寫)

會議經過及議程

0900~0930 報到 0930~0940 主席國科會分析化學小組召集人傅明仁教授 0940~0950 致歡迎詞吳天賞教授 國立中醫藥研究所所長 0950~1040 專題演講食品中 acrylamide 之分析 周薰修博士 藥物食品檢驗局 主持人傅明仁教授 (東吳大學化學系) 1040~1110 茶點時間 1110~1200 專題演講哺乳動物體內 D-乳酸的分析 李仁愛助理教授 台北醫學大學藥學系

主持人蔡東湖教授 (國立中醫藥研究所) 1200~1320 中餐休息 1320~1410 專題演講利用分子轉印技術在人體肝臟細胞中重金屬中毒的飛 行式二次離子質譜儀(TOF-SIMS)離子影像分析研究 麥富德助理教授 中山醫學大學應用化學系

主持人李茂榮教授 (中興大學化學系) 1410~1500 專題演講具奈米結構之鋰電池電極材料研製與電化學析 劉茂煌助理教授 輔大化學系 主持人何國榮教授 (台灣大學化學系) 1500~1530 茶點時間 1530~1630 綜合座談跨領域幹細胞整合計畫

陳甫州教授 台中榮民總醫院 1630- 會議結束

- 31 -

重要收穫及心得

藉由此次會議接觸到來自各方的學術研究同仁也許各自專長的領域不盡相同但

對於分析化學的研究與應用有著彼此相同的努力目標相互的討論及觀摩不僅僅是成果

的分享更進一步帶來跨領域的合作靈感與契機

近來科學的發展已不再只靠一個人或一間實驗室單打獨鬥不同領域的結合發展漸

成顯學資訊與技術的交流也許會產生比預期更巨大的突破以生物科學這一個大的範

疇為例若缺少化學物理與數學的助益恐怕連傳統遺傳學理論都無法發展以古視今

現今各個次領域都擁有其各自的專長就跨領域幹細胞整合計畫而言只包含分生生理

的人才絕對不足分析化學甚至藥學的知識與技術也有其立足之地國科會分析化學小組

研討會就提供了這麼一個交流與合作的園地結合彼此的力量共同思考更遠大的未來 建議

首先先謝謝國科會化學推動中心的支持國科會分析化學小組的努力及國立中醫藥

研究所的配合使此次會議圓滿完成由於報名踴躍就一個一百多人參與的會議來說

此次補助的經費似乎稍嫌不足扣除演講者的講費及與會者的午餐其餘所剩無幾故將

來補助款若能依參與人數的多寡而稍做調整相信主辦機構能夠為與會者提供更好的服務

- 32 -

訪問教授訪問報告表

姓名 Prof Jean-Franccedilois Carpentier

訪問日期民國 94 年 2 月 20 日 至 民國 94 年 2 月 24 日

接待機構 清華大學化學系 接待人 季昀 教授 聯絡電話 (03) 5712956

訪問重要成果 (如篇幅不足另以A4白紙填寫)

1訪問經過

Prof Jean-Franccedilois Carpentier 於 20 日晚間抵達台灣經過一個晚上的短暫

休息星期一早晨赴台大化學系訪問中午與學生共進午餐交換研究心得並瞭解

該校研究狀況星期二赴淡江化學系訪問中午與晚間分別與學生與教員共進午晚

餐交換研究心得並瞭解該校研究近況並談及如何共同申請中法國際合作專案

星期三赴清大化學系訪問中午與該系教員共進午餐交換研究心得並瞭解該校研

究狀況晚間則回返回台北參觀一年一度的台北國際燈會星期四上午安排私人的

自由活動並赴台北市旅遊景點參訪晚間搭乘飛機離台

2演講行程及概要

2 月 21 日台灣大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 22 日淡江大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 23 日清華大學化學系Towards Green Plastics via Stereoselective Polymerization

of rac-Lactide with Discrete Group 3 Metal Complexes

3 重要收獲及心得

瞭解國際學術界在過渡金屬錯合物鑭系稀土錯合物的合成化學與催化反應方面的前

瞻進展狀態

並為建立合適管道執行未來國際學術合作促進國與國間的人員互動人員的相互

了解而努力

4其他意見

- 33 -

訪問教授訪問報告表

- 34 -

訪問教授訪問報告表

- 35 -

訪問教授訪問報告表

姓名Luis A Marky 教授 University of Nebraska Medical Center

訪問日期民國九十三年十二月四日至十一日

接待機構中央研究院 接待人甘魯生 聯絡電話02 2789 8550

訪問重要成果

訪問經過

Luis Marky 教授早年追隨熱力學

大師 Ken Breslauer之後為紐約

市大學及內布拉斯加州立大學

網羅是一位核酸熱力學專家

其論文發表在 J Am Chem Soc

Biochemistry Nucleic Acids Res

Methods Enzymol等知名國際專業雜誌上Marky 教授早在博士後研究員時即與本

人相識研究領域也相近一直有和他合作共同研究核酸的性質及結構的想法

他也對我們台灣非常友善此次有幸得到化學中心的資助得以邀請 Marky 來台

一方面洽談合作事誼一方面和國內學者及學生會談增進交流宣導有關核酸方

面的研究Marky 教授在短短一週內訪問了四所學術機構也以四個不同的題材

發表了四場學術演講次數相當密集把這次訪問推到最高峰幸好 Marky 教授

並不以為苦所以是一次成功的訪問 演講行程及概要

十二月四日星期六抵台

十二月五日星期日轉赴花蓮

十二月六日星期一

訪問國立東華大學

以ldquoDNA Hairpin Loops Folding Ligand Binding and Hydrationrdquo為題發表專題演講

- 36 -

十二月七日星期二

訪問中央研究院

以rdquoThermodynamics of DNA Triplexes Contributions of Base-Triplet Stacks and Base

Methylationrdquo為題發表專題演講

十二月八日星期三

訪問國立中正大學

以ldquoThermodynamics of DNA Triplexes Containing C-glycosides Basesrdquo為題發表專題

演講

十二月九日星期四

參觀故宮博物院

十二月十日星期五

訪問國立清華大學

以ldquoSherlock Holmesrsquos Adventures with Nucleic Acidsrdquo 為題發表專題演講

十二月十一日離台

重要收獲及心得

Marky 教授在信中稱他對四所訪問的學術機構中央研究院國立東華大學國

立中正大學及國立清華大學的教學及研究都有深刻的印也意外的面試了一位東

華生科所的學生準備收為研究生這是一件互惠之事Marky 教授也非常希望

能和我們合作共同研究

其他意見

(請見 Luis Marky 教授信)

- 37 -

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 15 -

日期 演 講 者 講 題

推薦者

33 (四)

415

(化四)

Prof Wasuke Mori (Department of Chemistry

Faculty of ScienceKanagawa University)

Microporous Materials of Metal Carboxylates Gas-occlusion Properties Inclusion Complex

Formation with Organic Polymer and Catalytic Activities for Hydrogenation of Olefins

陳竹亭 教授

345 (五六)

全日

台灣瑞士雙邊有機合成研討會

陸天堯 教授

38 (二)

200

Prof Hung-Wen Liu Learning natures strategies for making unusual sugars

陸天堯 教授

310 (四)

200

Prof Luisa De Cola (Chair of Molecular

Photonic Materials Van t Hoff Institute for Molecular

Sciences (HIMS) Univ of Amsterdam The

Netherlands)

Covalently and NonCovalently Linked Molecular Wires

陸天堯 教授

310 (四)

330

Prof Jeffery I Zink (UCLA)

Nano-Structured Sol-Gel Materials and Functional Molecular Machines

陳昭岑 教授

317 (四)

330

Prof Atsunori Mori (東京工業大學資源化學研

究所副教授)

Transition Metal-Catalyzed Reactions of Alkynes and Heteroaromatic

Compounds

陸天堯 教授

325 (五)

330

Prof G Mehta TBA

陸天堯 教授

4 8 (五)

330

Prof Richard Taylor TBA

陸天堯 教授

415 (五)

200

Prof Oshio (Tsukuba University)

High-Spin molecules toward single-molecule magnets

彭旭明 教授

415 (五)

330

黃迪靖 博士 (國家同步輻射研究中心副

研究員)

Charge and Orbital Ordering in Transition-Metal Oxides

劉如熹 教授

- 16 -

日期 演 講 者 講 題

推薦者

422 (五)

330

林建村 博士 (中研院化學所)

Electro-optic Materialsfrom OLEDs to Photovoltaics

陸天堯 教授

429 (五)

330

Prof Vijay nair TBA

陸天堯 教授

56 (五)

330

林寬鋸 教授 (中興大學化學系)

1D-Semiconducting Metal OxidesSynthesis and Applications

陸天堯 教授

520 (五)

330

許千樹 教授 (交通大學應用化學系)

Nanostructure Enhanced Polymer Light Emitting Diodes

陸天堯 教授

63 (五)

330

孫仲銘 教授 (東華大學化研所)

微波合成抑制新生血管增生先導藥物分子庫

陸天堯 教授

610 (五)

330

蔡明道 博士 (中央研究院基因體中心)

TBA

陸天堯 教授

- 17 -

93 學年第二學期 國立東華大學化學系專題演講

週次 日期 演講者 演講題目 邀請者

3 311 呂宗昕 教授 台灣大學化工系

奈米科技與奈米世界 羅幼旭

4 318 林志彪 教授 東華大學化學系

TBA 化學系

5 325 曹英彥 博士 中油公司

Preparation Characterization and Applications of Zeolite-supported

Subnano Metallic Particles

林志彪

7 48 陳慶年 博士 NIH (USA)

Magnetic Resonance Imaging ndash from a chemistrsquos perspective

錢嘉琳

8 415 Dr Wei Gang

Metal Based Self-Assembly in Supramolecular Chemistry

化學系

9 422 裘性天 教授 交通大學應化系

Growth of Inorganic Solids at the Interphase

林志彪

13 520 王雲銘 教授 高醫應化系

Synthesis and characterization of bio-activated contrast agents for Magnetic Resonance Imaging

劉鎮維

14 527 Prof John Z H ZhangNew York Univ

New Quantum Computational Study of Proteins

張秀華

15 63 林震煌 教授 臺灣師範大學化學系

毛細管電泳線上濃縮技術的發展

與應用 何彥鵬

16 610 李衍彰 教授 彰化師範大學化學系

Synthesis of the natural products as anti-tumor agents

註每週五下午 310pm-500pm

理二講堂

- 18 -

淡江大學化學系 93 學年度第(二)學期演講公告 演講時間每週一下午 210~400演講地點教育館 (Q-409)

日期 時間 演講者 演講題目

221(一) 210~400 傅達勳 危險物及毒化物之認識與運作

307(一) 210~400 Prof Yoshito Takeuchi(Kanagawa University)

Organogermanium Chemistry-A Wonderland of Heteroatom Chemistry

314(一) 210~400 張增輝教授 (美國紐約大學)

321(一) 210~400 施增廉 (淡江大學化學系)

Syntheses of a New Trihydroxy Piperidine Derivative Quercitols and Azepanes for Glycosidase Inhibitors from D-(-)-quinic Acid

328(一) 210~400 陳振漢

(國防醫學院生物晶片

中心)

蛋白質體技術之發展與應用

418(一) 210~400 林唯芳教授 (台大材料系)

分子奈米材料及元件應用

425(一) 210~400 刁維光副教授 (交大應化所)

紫質分子在奈米結構中的光物理與光化學

502(一) 210~400 楊禮明教授 (中國醫藥研究所)

509(一) 210~400 劉廣定教授 (台大化學系)

永續化學與液晶製備

516(一) 210~400 林倫年副研究員 (台大凝態中心)

523(一) 210~400 翁啟惠院士 (中研院)

化學生物與後基因時代之研究

530(一) 210~400 曾惠芳助理教授 (暨大應化系)

毛細管電泳在生化分析上的應用

606(一) 210~400 侯敦仁助理教授 (中央大學化學系)

合環歧化(Ring-Closing Metathesis)之合成

應用

613(一) 210~400 謝明發研究員 (工研院)

The polymeric nano-particles for drug delivery vehicles

- 19 -

中原大學化學系

93 學年度下學期-「學術專題演講」日程表

時間每週三 1500-1630

地點理學館 1樓講堂

主持人葉華光老師 聯絡電話03-2653305 日期 講員 標題 負責

實驗室

223 休息

32 中研院化學研究

所孫世勝博士 Fluorescent Conjugated Polymer-Based Chemosensors

楊千金老師

Lab

39 休息

316 中興大學化學系

林寬鋸教授

未定 葉華光老師

Lab

323 休息 (運動會)

330 南台科技大學

林鴻儒教授 Porous Scaffolds for Bone Tissue Engineering

李世琛老師

Lab

46 休息 (校外實習週)

413 台大醫學院

藥學研究所

李水盛教授

未定 蔡宗燕老師

Lab

420 休息 (期中考)

427 國立陽明大學

周成功教授 How to Struggle with a Novel Gene in the Genome Era

葉瑞銘老師

Lab

54 東吳大學

傅明仁教授 Drug analysis by LC-ES-MS

蔡祐輔老師

Lab

511 休息

518 休息

525 國立成功大學

林弘萍教授

中孔洞氧化矽和碳材料合成與應用 江彰吉老師

Lab

61 華邦電子

周良奎經理

The application of CMP in IC Fabrication

陳玉惠老師

Lab

68 清華大學化學系

劉行讓教授 Reductive Decyanation A Powerful Tool in Organic Synthesis

黃悉雅老師

Lab

615 休息

備註1 請各場次負責的實驗室於演講前做好教具測試 2 自本學期起各場次負責之實驗室僅提供茶水不再準備點心

- 20 -

國立嘉義大學應用化學系 九十三學年度第二學期演講公告

(學期中演講增刪或更新請以即期演講公告為準)

日期 時間 演 講 者 講 題

223

(三) pm1520

~1700 陳勁初主任 (葡萄王生技中心主任)

生技保健食品開發

302

(三) pm1520

~1700 陳泊余教授(高雄醫學大學 醫藥暨應用化學系)

The application of ionic liquids in electrochemistry

316

(三) Pm1520

~1700 陳焜銘教授 (師範大學化學系)

The development of camphor derived chiral ligands for asymmetric reactions

323

(三) pm1520

~1700 何佳安教授 (暨南大學化學系)

Liposome in Diagnostic Microbiology

330

(三) pm1330

~1510 夏克山博士 (國家衛生研究院)

Discovery of New Stem Cell Mobilizers Antagonizing CXCR4 Chemokine Receptor

406

(三) pm1520

~1700 陳幹男教授 (淡江大學化學系)

Hybridization of Aqueous-based Polymers

413

(三) pm1520

~1700 汪炳鈞教授 (清華大學化學系)

Asymmetric Synthesis Using Camphor Derived Chiral Ligands

504

(三) pm1520

~1700 林震煌教授 (師範大學化學系)

毛細管電泳線上濃縮技術的發展

與應用

427

(三) pm1520

~1700 劉英麟教授 (中原大學化工系)

應用二氧化矽奈米粒子於高分子

材料改質

註演講地點在工程館四樓視聽教室

- 21 -

中 央 研 究 院 化 學 研 究 所 INSTITUTE OF CHEMISTRY ACADEMIA SINICA

學 術 演 講 (Chemistry Colloquium)

0106 (四) 1530

唐本忠教授 香港科技大學 (推薦人 陶雨台教授) Light-Emitting Polyenes Polyynes and Polyarylenes

0110 (一) 1530

Prof Rudy Marcus California Institute of Technology USA (推薦人 許昭萍教授) Puzzling phenomena in the fluorescence intermittency of single quantum dots theory and experiment (地點 周大紓講堂)

0114 (五) 1530

Prof Samson A Jenekhe University of Washington USA (推薦人 陶雨台教授) Organic Electronics and Optoelectronics

0125 (二) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Design and Synthesis of Tumor-Targeting Boron Molecules

0126 (三) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Chemistry of Bis-π-allylpalladium for Organic Synthesis

0127 (四) 1530

Prof Teruo Shinmyozu Kyushu University Japan (推薦人 周大新教授) Synthesis Structure and Photochemical Properties of [3n]Cyclophanes (n = 2-6)

0129 (六) 功能性有機化合物的分子建構 小型研討會

0202 (三) 1530

曾志明教授 國立中興大學 (推薦人 陳錦地教授) Addressing grand energy challenges through advanced materials

0203 (四) 1030

江明錫博士 國立清華大學 (Interview Talk) f-ion speciation and d-f interaction toward electrocatalysis LnAn-polyoxotungstates

0218 (五) 1030

Dr Tiow-Gan Ong University of Ottawa Canada The stories of rationally designing a Guanidinate transition metal Complexes and constructing a Stable Carbene with a Novel Topology and Electronic Framework Their Role in Catalysis

0221 (一) 1030

Dr Chi-Wing Tsang University of British Columbia Canada (Interview Talk) Carborane - A New Weakly Coordinating Anion Utilizing P=C bonds in Polymer Chemistry

0225 (五) 1030

Dr Chen-Hsiung Hung National Changhua University of Education Metal Assisted Small Molecule Activations Using Porphyrin Analogues or NNO-Scorpionates as Ligands

0226 (六) 周大紓先生紀念研討會 (Ta-shue Chou Memorial Lecture) (地點 周大紓講堂)

0301 (二) 1030

Dr Wen-Yuan Hsieh Purdue University Synthesis Characterization of monomeric and dimeric Mn complexes

0302 (三) 1400

Prof Peter Chen Swiss Federal Institute of Technology Zurich Switzerland (推薦人 陸天堯教授) Organometallic Chemistry by ESI-MSMS High Valent Oxo Complexes Diolates Metallaoxetanes and Carbenes

0302 (三) 1530

Dr Sarah Thomas Royal Society of Chemistry Publishing Why Where and How (地點 周大紓講堂)

- 22 -

0303 (四) 1430

Prof Pierre Vogel Swiss Federal Institute of Technology Lausanne Switzerland (推薦人 陸天堯教授) Carbohydrate Mimetics Synthesis of C-Disaccharides Imino-C-disaccharides and Analogs and their Biological Properties

0303 (四) 1530

Prof Jay S Siegel University of Zurich Switzerland (推薦人 陸天堯教授) Cheap Fast and Out of Control Rationale for Combinatorial Chemistry

0304-05

第一屆台灣-瑞士雙邊有機合成研討會 Joint Swiss-Taiwanese Meeting ldquoFrontiers in Organic Synthesisrdquo (地點 國立台灣大學 原分所浦大邦演講廳)

0309 (三) Symposium

ldquoPhysical Studies on Photo- or Electron-responsive Materials 0310(四)

1400 陳月枝教授 國立交通大學 (推薦人 陳玉如教授) Title to be annouced

0324(四) 1530

王惠鈞所長 中研院生化所 (推薦人 陳長謙所長) Title to be announced

0407(四) 1530

Prof Richard Taylor University of York (推薦人 陸天堯教授) Title to be announced

0421(四) 1530

Prof Biswanath Das Indian Institute of Chemical Technology India (推薦人 畢爾曼教授) Investigation on Some Fundamental Reactions

地點A108 會議室 Revised on February 21 2005

- 23 -

國立彰化師範大學化學系九十三學年下學期專題演講一覽表

時間 演講者 服務單位 演講題目 地點 推薦人

411

pm 200 林建村

中央研究

院化學所 Electro-optic Materials from OLEDs to photovoltaics

藝薈館

系演講廳 李漢文

418

pm200 梁博煌

中央研究

院生化所 Anti-infectious drug discovery藝薈館

系演講廳 李衍彰

425

pm200 傅傳博

暨南大學

應化系 Development of Magnetic Separation for Analytical Chemistry

藝薈館

系演講廳 林秋薰

59

pm 200 蔡易州

清華大學

化學系 The power of Meal-Metal Multiple bonds

藝薈館

系演講廳 黃瑞賢

516

pm200 孫仲銘

東華大學

化學系 微波抗腫瘤藥物分子庫合成藝薈館

系演講廳 李衍彰

523

pm200 許昭萍

中央研究

院化學所 Electronic Coupling for electron transfer methods and applications

藝薈館

系演講廳 胡景瀚

66

pm200 林敬堯暨南大學

應化系

Tailoring ethynyl substituted porphyrins for photonic electrochemical and nano-related researches

藝薈館

系演講廳 洪政雄

613

pm200 莊琇惠

高雄大學

應化系 Chemical Vapor Deposition of Hafnium Oxonitride as High-k Materials

藝薈館

系演講廳 黃瑞賢

- 24 -

- 25 -

- 26 -

- 27 -

- 28 -

- 29 -

- 30 -

國科會化學推動中心補助學術研討會成果報告表

會議名稱94 年第一次國科會分析化學小組研討會

舉辦日期民國 94 年 2 月 19 日 至 民國 94 年 2 月 19 日

主辦機構國立中醫藥研究所國科會分析化學小組主持人蔡東湖傅明仁

舉辦地點國立中醫藥研究所 聯絡電話 02-2820 1999 ext 8091

出席人數工業界 人學術界(含學生) 110 人 共 110 人

會議重要成果 (如篇幅不足另以A4白紙填寫)

會議經過及議程

0900~0930 報到 0930~0940 主席國科會分析化學小組召集人傅明仁教授 0940~0950 致歡迎詞吳天賞教授 國立中醫藥研究所所長 0950~1040 專題演講食品中 acrylamide 之分析 周薰修博士 藥物食品檢驗局 主持人傅明仁教授 (東吳大學化學系) 1040~1110 茶點時間 1110~1200 專題演講哺乳動物體內 D-乳酸的分析 李仁愛助理教授 台北醫學大學藥學系

主持人蔡東湖教授 (國立中醫藥研究所) 1200~1320 中餐休息 1320~1410 專題演講利用分子轉印技術在人體肝臟細胞中重金屬中毒的飛 行式二次離子質譜儀(TOF-SIMS)離子影像分析研究 麥富德助理教授 中山醫學大學應用化學系

主持人李茂榮教授 (中興大學化學系) 1410~1500 專題演講具奈米結構之鋰電池電極材料研製與電化學析 劉茂煌助理教授 輔大化學系 主持人何國榮教授 (台灣大學化學系) 1500~1530 茶點時間 1530~1630 綜合座談跨領域幹細胞整合計畫

陳甫州教授 台中榮民總醫院 1630- 會議結束

- 31 -

重要收穫及心得

藉由此次會議接觸到來自各方的學術研究同仁也許各自專長的領域不盡相同但

對於分析化學的研究與應用有著彼此相同的努力目標相互的討論及觀摩不僅僅是成果

的分享更進一步帶來跨領域的合作靈感與契機

近來科學的發展已不再只靠一個人或一間實驗室單打獨鬥不同領域的結合發展漸

成顯學資訊與技術的交流也許會產生比預期更巨大的突破以生物科學這一個大的範

疇為例若缺少化學物理與數學的助益恐怕連傳統遺傳學理論都無法發展以古視今

現今各個次領域都擁有其各自的專長就跨領域幹細胞整合計畫而言只包含分生生理

的人才絕對不足分析化學甚至藥學的知識與技術也有其立足之地國科會分析化學小組

研討會就提供了這麼一個交流與合作的園地結合彼此的力量共同思考更遠大的未來 建議

首先先謝謝國科會化學推動中心的支持國科會分析化學小組的努力及國立中醫藥

研究所的配合使此次會議圓滿完成由於報名踴躍就一個一百多人參與的會議來說

此次補助的經費似乎稍嫌不足扣除演講者的講費及與會者的午餐其餘所剩無幾故將

來補助款若能依參與人數的多寡而稍做調整相信主辦機構能夠為與會者提供更好的服務

- 32 -

訪問教授訪問報告表

姓名 Prof Jean-Franccedilois Carpentier

訪問日期民國 94 年 2 月 20 日 至 民國 94 年 2 月 24 日

接待機構 清華大學化學系 接待人 季昀 教授 聯絡電話 (03) 5712956

訪問重要成果 (如篇幅不足另以A4白紙填寫)

1訪問經過

Prof Jean-Franccedilois Carpentier 於 20 日晚間抵達台灣經過一個晚上的短暫

休息星期一早晨赴台大化學系訪問中午與學生共進午餐交換研究心得並瞭解

該校研究狀況星期二赴淡江化學系訪問中午與晚間分別與學生與教員共進午晚

餐交換研究心得並瞭解該校研究近況並談及如何共同申請中法國際合作專案

星期三赴清大化學系訪問中午與該系教員共進午餐交換研究心得並瞭解該校研

究狀況晚間則回返回台北參觀一年一度的台北國際燈會星期四上午安排私人的

自由活動並赴台北市旅遊景點參訪晚間搭乘飛機離台

2演講行程及概要

2 月 21 日台灣大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 22 日淡江大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 23 日清華大學化學系Towards Green Plastics via Stereoselective Polymerization

of rac-Lactide with Discrete Group 3 Metal Complexes

3 重要收獲及心得

瞭解國際學術界在過渡金屬錯合物鑭系稀土錯合物的合成化學與催化反應方面的前

瞻進展狀態

並為建立合適管道執行未來國際學術合作促進國與國間的人員互動人員的相互

了解而努力

4其他意見

- 33 -

訪問教授訪問報告表

- 34 -

訪問教授訪問報告表

- 35 -

訪問教授訪問報告表

姓名Luis A Marky 教授 University of Nebraska Medical Center

訪問日期民國九十三年十二月四日至十一日

接待機構中央研究院 接待人甘魯生 聯絡電話02 2789 8550

訪問重要成果

訪問經過

Luis Marky 教授早年追隨熱力學

大師 Ken Breslauer之後為紐約

市大學及內布拉斯加州立大學

網羅是一位核酸熱力學專家

其論文發表在 J Am Chem Soc

Biochemistry Nucleic Acids Res

Methods Enzymol等知名國際專業雜誌上Marky 教授早在博士後研究員時即與本

人相識研究領域也相近一直有和他合作共同研究核酸的性質及結構的想法

他也對我們台灣非常友善此次有幸得到化學中心的資助得以邀請 Marky 來台

一方面洽談合作事誼一方面和國內學者及學生會談增進交流宣導有關核酸方

面的研究Marky 教授在短短一週內訪問了四所學術機構也以四個不同的題材

發表了四場學術演講次數相當密集把這次訪問推到最高峰幸好 Marky 教授

並不以為苦所以是一次成功的訪問 演講行程及概要

十二月四日星期六抵台

十二月五日星期日轉赴花蓮

十二月六日星期一

訪問國立東華大學

以ldquoDNA Hairpin Loops Folding Ligand Binding and Hydrationrdquo為題發表專題演講

- 36 -

十二月七日星期二

訪問中央研究院

以rdquoThermodynamics of DNA Triplexes Contributions of Base-Triplet Stacks and Base

Methylationrdquo為題發表專題演講

十二月八日星期三

訪問國立中正大學

以ldquoThermodynamics of DNA Triplexes Containing C-glycosides Basesrdquo為題發表專題

演講

十二月九日星期四

參觀故宮博物院

十二月十日星期五

訪問國立清華大學

以ldquoSherlock Holmesrsquos Adventures with Nucleic Acidsrdquo 為題發表專題演講

十二月十一日離台

重要收獲及心得

Marky 教授在信中稱他對四所訪問的學術機構中央研究院國立東華大學國

立中正大學及國立清華大學的教學及研究都有深刻的印也意外的面試了一位東

華生科所的學生準備收為研究生這是一件互惠之事Marky 教授也非常希望

能和我們合作共同研究

其他意見

(請見 Luis Marky 教授信)

- 37 -

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 16 -

日期 演 講 者 講 題

推薦者

422 (五)

330

林建村 博士 (中研院化學所)

Electro-optic Materialsfrom OLEDs to Photovoltaics

陸天堯 教授

429 (五)

330

Prof Vijay nair TBA

陸天堯 教授

56 (五)

330

林寬鋸 教授 (中興大學化學系)

1D-Semiconducting Metal OxidesSynthesis and Applications

陸天堯 教授

520 (五)

330

許千樹 教授 (交通大學應用化學系)

Nanostructure Enhanced Polymer Light Emitting Diodes

陸天堯 教授

63 (五)

330

孫仲銘 教授 (東華大學化研所)

微波合成抑制新生血管增生先導藥物分子庫

陸天堯 教授

610 (五)

330

蔡明道 博士 (中央研究院基因體中心)

TBA

陸天堯 教授

- 17 -

93 學年第二學期 國立東華大學化學系專題演講

週次 日期 演講者 演講題目 邀請者

3 311 呂宗昕 教授 台灣大學化工系

奈米科技與奈米世界 羅幼旭

4 318 林志彪 教授 東華大學化學系

TBA 化學系

5 325 曹英彥 博士 中油公司

Preparation Characterization and Applications of Zeolite-supported

Subnano Metallic Particles

林志彪

7 48 陳慶年 博士 NIH (USA)

Magnetic Resonance Imaging ndash from a chemistrsquos perspective

錢嘉琳

8 415 Dr Wei Gang

Metal Based Self-Assembly in Supramolecular Chemistry

化學系

9 422 裘性天 教授 交通大學應化系

Growth of Inorganic Solids at the Interphase

林志彪

13 520 王雲銘 教授 高醫應化系

Synthesis and characterization of bio-activated contrast agents for Magnetic Resonance Imaging

劉鎮維

14 527 Prof John Z H ZhangNew York Univ

New Quantum Computational Study of Proteins

張秀華

15 63 林震煌 教授 臺灣師範大學化學系

毛細管電泳線上濃縮技術的發展

與應用 何彥鵬

16 610 李衍彰 教授 彰化師範大學化學系

Synthesis of the natural products as anti-tumor agents

註每週五下午 310pm-500pm

理二講堂

- 18 -

淡江大學化學系 93 學年度第(二)學期演講公告 演講時間每週一下午 210~400演講地點教育館 (Q-409)

日期 時間 演講者 演講題目

221(一) 210~400 傅達勳 危險物及毒化物之認識與運作

307(一) 210~400 Prof Yoshito Takeuchi(Kanagawa University)

Organogermanium Chemistry-A Wonderland of Heteroatom Chemistry

314(一) 210~400 張增輝教授 (美國紐約大學)

321(一) 210~400 施增廉 (淡江大學化學系)

Syntheses of a New Trihydroxy Piperidine Derivative Quercitols and Azepanes for Glycosidase Inhibitors from D-(-)-quinic Acid

328(一) 210~400 陳振漢

(國防醫學院生物晶片

中心)

蛋白質體技術之發展與應用

418(一) 210~400 林唯芳教授 (台大材料系)

分子奈米材料及元件應用

425(一) 210~400 刁維光副教授 (交大應化所)

紫質分子在奈米結構中的光物理與光化學

502(一) 210~400 楊禮明教授 (中國醫藥研究所)

509(一) 210~400 劉廣定教授 (台大化學系)

永續化學與液晶製備

516(一) 210~400 林倫年副研究員 (台大凝態中心)

523(一) 210~400 翁啟惠院士 (中研院)

化學生物與後基因時代之研究

530(一) 210~400 曾惠芳助理教授 (暨大應化系)

毛細管電泳在生化分析上的應用

606(一) 210~400 侯敦仁助理教授 (中央大學化學系)

合環歧化(Ring-Closing Metathesis)之合成

應用

613(一) 210~400 謝明發研究員 (工研院)

The polymeric nano-particles for drug delivery vehicles

- 19 -

中原大學化學系

93 學年度下學期-「學術專題演講」日程表

時間每週三 1500-1630

地點理學館 1樓講堂

主持人葉華光老師 聯絡電話03-2653305 日期 講員 標題 負責

實驗室

223 休息

32 中研院化學研究

所孫世勝博士 Fluorescent Conjugated Polymer-Based Chemosensors

楊千金老師

Lab

39 休息

316 中興大學化學系

林寬鋸教授

未定 葉華光老師

Lab

323 休息 (運動會)

330 南台科技大學

林鴻儒教授 Porous Scaffolds for Bone Tissue Engineering

李世琛老師

Lab

46 休息 (校外實習週)

413 台大醫學院

藥學研究所

李水盛教授

未定 蔡宗燕老師

Lab

420 休息 (期中考)

427 國立陽明大學

周成功教授 How to Struggle with a Novel Gene in the Genome Era

葉瑞銘老師

Lab

54 東吳大學

傅明仁教授 Drug analysis by LC-ES-MS

蔡祐輔老師

Lab

511 休息

518 休息

525 國立成功大學

林弘萍教授

中孔洞氧化矽和碳材料合成與應用 江彰吉老師

Lab

61 華邦電子

周良奎經理

The application of CMP in IC Fabrication

陳玉惠老師

Lab

68 清華大學化學系

劉行讓教授 Reductive Decyanation A Powerful Tool in Organic Synthesis

黃悉雅老師

Lab

615 休息

備註1 請各場次負責的實驗室於演講前做好教具測試 2 自本學期起各場次負責之實驗室僅提供茶水不再準備點心

- 20 -

國立嘉義大學應用化學系 九十三學年度第二學期演講公告

(學期中演講增刪或更新請以即期演講公告為準)

日期 時間 演 講 者 講 題

223

(三) pm1520

~1700 陳勁初主任 (葡萄王生技中心主任)

生技保健食品開發

302

(三) pm1520

~1700 陳泊余教授(高雄醫學大學 醫藥暨應用化學系)

The application of ionic liquids in electrochemistry

316

(三) Pm1520

~1700 陳焜銘教授 (師範大學化學系)

The development of camphor derived chiral ligands for asymmetric reactions

323

(三) pm1520

~1700 何佳安教授 (暨南大學化學系)

Liposome in Diagnostic Microbiology

330

(三) pm1330

~1510 夏克山博士 (國家衛生研究院)

Discovery of New Stem Cell Mobilizers Antagonizing CXCR4 Chemokine Receptor

406

(三) pm1520

~1700 陳幹男教授 (淡江大學化學系)

Hybridization of Aqueous-based Polymers

413

(三) pm1520

~1700 汪炳鈞教授 (清華大學化學系)

Asymmetric Synthesis Using Camphor Derived Chiral Ligands

504

(三) pm1520

~1700 林震煌教授 (師範大學化學系)

毛細管電泳線上濃縮技術的發展

與應用

427

(三) pm1520

~1700 劉英麟教授 (中原大學化工系)

應用二氧化矽奈米粒子於高分子

材料改質

註演講地點在工程館四樓視聽教室

- 21 -

中 央 研 究 院 化 學 研 究 所 INSTITUTE OF CHEMISTRY ACADEMIA SINICA

學 術 演 講 (Chemistry Colloquium)

0106 (四) 1530

唐本忠教授 香港科技大學 (推薦人 陶雨台教授) Light-Emitting Polyenes Polyynes and Polyarylenes

0110 (一) 1530

Prof Rudy Marcus California Institute of Technology USA (推薦人 許昭萍教授) Puzzling phenomena in the fluorescence intermittency of single quantum dots theory and experiment (地點 周大紓講堂)

0114 (五) 1530

Prof Samson A Jenekhe University of Washington USA (推薦人 陶雨台教授) Organic Electronics and Optoelectronics

0125 (二) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Design and Synthesis of Tumor-Targeting Boron Molecules

0126 (三) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Chemistry of Bis-π-allylpalladium for Organic Synthesis

0127 (四) 1530

Prof Teruo Shinmyozu Kyushu University Japan (推薦人 周大新教授) Synthesis Structure and Photochemical Properties of [3n]Cyclophanes (n = 2-6)

0129 (六) 功能性有機化合物的分子建構 小型研討會

0202 (三) 1530

曾志明教授 國立中興大學 (推薦人 陳錦地教授) Addressing grand energy challenges through advanced materials

0203 (四) 1030

江明錫博士 國立清華大學 (Interview Talk) f-ion speciation and d-f interaction toward electrocatalysis LnAn-polyoxotungstates

0218 (五) 1030

Dr Tiow-Gan Ong University of Ottawa Canada The stories of rationally designing a Guanidinate transition metal Complexes and constructing a Stable Carbene with a Novel Topology and Electronic Framework Their Role in Catalysis

0221 (一) 1030

Dr Chi-Wing Tsang University of British Columbia Canada (Interview Talk) Carborane - A New Weakly Coordinating Anion Utilizing P=C bonds in Polymer Chemistry

0225 (五) 1030

Dr Chen-Hsiung Hung National Changhua University of Education Metal Assisted Small Molecule Activations Using Porphyrin Analogues or NNO-Scorpionates as Ligands

0226 (六) 周大紓先生紀念研討會 (Ta-shue Chou Memorial Lecture) (地點 周大紓講堂)

0301 (二) 1030

Dr Wen-Yuan Hsieh Purdue University Synthesis Characterization of monomeric and dimeric Mn complexes

0302 (三) 1400

Prof Peter Chen Swiss Federal Institute of Technology Zurich Switzerland (推薦人 陸天堯教授) Organometallic Chemistry by ESI-MSMS High Valent Oxo Complexes Diolates Metallaoxetanes and Carbenes

0302 (三) 1530

Dr Sarah Thomas Royal Society of Chemistry Publishing Why Where and How (地點 周大紓講堂)

- 22 -

0303 (四) 1430

Prof Pierre Vogel Swiss Federal Institute of Technology Lausanne Switzerland (推薦人 陸天堯教授) Carbohydrate Mimetics Synthesis of C-Disaccharides Imino-C-disaccharides and Analogs and their Biological Properties

0303 (四) 1530

Prof Jay S Siegel University of Zurich Switzerland (推薦人 陸天堯教授) Cheap Fast and Out of Control Rationale for Combinatorial Chemistry

0304-05

第一屆台灣-瑞士雙邊有機合成研討會 Joint Swiss-Taiwanese Meeting ldquoFrontiers in Organic Synthesisrdquo (地點 國立台灣大學 原分所浦大邦演講廳)

0309 (三) Symposium

ldquoPhysical Studies on Photo- or Electron-responsive Materials 0310(四)

1400 陳月枝教授 國立交通大學 (推薦人 陳玉如教授) Title to be annouced

0324(四) 1530

王惠鈞所長 中研院生化所 (推薦人 陳長謙所長) Title to be announced

0407(四) 1530

Prof Richard Taylor University of York (推薦人 陸天堯教授) Title to be announced

0421(四) 1530

Prof Biswanath Das Indian Institute of Chemical Technology India (推薦人 畢爾曼教授) Investigation on Some Fundamental Reactions

地點A108 會議室 Revised on February 21 2005

- 23 -

國立彰化師範大學化學系九十三學年下學期專題演講一覽表

時間 演講者 服務單位 演講題目 地點 推薦人

411

pm 200 林建村

中央研究

院化學所 Electro-optic Materials from OLEDs to photovoltaics

藝薈館

系演講廳 李漢文

418

pm200 梁博煌

中央研究

院生化所 Anti-infectious drug discovery藝薈館

系演講廳 李衍彰

425

pm200 傅傳博

暨南大學

應化系 Development of Magnetic Separation for Analytical Chemistry

藝薈館

系演講廳 林秋薰

59

pm 200 蔡易州

清華大學

化學系 The power of Meal-Metal Multiple bonds

藝薈館

系演講廳 黃瑞賢

516

pm200 孫仲銘

東華大學

化學系 微波抗腫瘤藥物分子庫合成藝薈館

系演講廳 李衍彰

523

pm200 許昭萍

中央研究

院化學所 Electronic Coupling for electron transfer methods and applications

藝薈館

系演講廳 胡景瀚

66

pm200 林敬堯暨南大學

應化系

Tailoring ethynyl substituted porphyrins for photonic electrochemical and nano-related researches

藝薈館

系演講廳 洪政雄

613

pm200 莊琇惠

高雄大學

應化系 Chemical Vapor Deposition of Hafnium Oxonitride as High-k Materials

藝薈館

系演講廳 黃瑞賢

- 24 -

- 25 -

- 26 -

- 27 -

- 28 -

- 29 -

- 30 -

國科會化學推動中心補助學術研討會成果報告表

會議名稱94 年第一次國科會分析化學小組研討會

舉辦日期民國 94 年 2 月 19 日 至 民國 94 年 2 月 19 日

主辦機構國立中醫藥研究所國科會分析化學小組主持人蔡東湖傅明仁

舉辦地點國立中醫藥研究所 聯絡電話 02-2820 1999 ext 8091

出席人數工業界 人學術界(含學生) 110 人 共 110 人

會議重要成果 (如篇幅不足另以A4白紙填寫)

會議經過及議程

0900~0930 報到 0930~0940 主席國科會分析化學小組召集人傅明仁教授 0940~0950 致歡迎詞吳天賞教授 國立中醫藥研究所所長 0950~1040 專題演講食品中 acrylamide 之分析 周薰修博士 藥物食品檢驗局 主持人傅明仁教授 (東吳大學化學系) 1040~1110 茶點時間 1110~1200 專題演講哺乳動物體內 D-乳酸的分析 李仁愛助理教授 台北醫學大學藥學系

主持人蔡東湖教授 (國立中醫藥研究所) 1200~1320 中餐休息 1320~1410 專題演講利用分子轉印技術在人體肝臟細胞中重金屬中毒的飛 行式二次離子質譜儀(TOF-SIMS)離子影像分析研究 麥富德助理教授 中山醫學大學應用化學系

主持人李茂榮教授 (中興大學化學系) 1410~1500 專題演講具奈米結構之鋰電池電極材料研製與電化學析 劉茂煌助理教授 輔大化學系 主持人何國榮教授 (台灣大學化學系) 1500~1530 茶點時間 1530~1630 綜合座談跨領域幹細胞整合計畫

陳甫州教授 台中榮民總醫院 1630- 會議結束

- 31 -

重要收穫及心得

藉由此次會議接觸到來自各方的學術研究同仁也許各自專長的領域不盡相同但

對於分析化學的研究與應用有著彼此相同的努力目標相互的討論及觀摩不僅僅是成果

的分享更進一步帶來跨領域的合作靈感與契機

近來科學的發展已不再只靠一個人或一間實驗室單打獨鬥不同領域的結合發展漸

成顯學資訊與技術的交流也許會產生比預期更巨大的突破以生物科學這一個大的範

疇為例若缺少化學物理與數學的助益恐怕連傳統遺傳學理論都無法發展以古視今

現今各個次領域都擁有其各自的專長就跨領域幹細胞整合計畫而言只包含分生生理

的人才絕對不足分析化學甚至藥學的知識與技術也有其立足之地國科會分析化學小組

研討會就提供了這麼一個交流與合作的園地結合彼此的力量共同思考更遠大的未來 建議

首先先謝謝國科會化學推動中心的支持國科會分析化學小組的努力及國立中醫藥

研究所的配合使此次會議圓滿完成由於報名踴躍就一個一百多人參與的會議來說

此次補助的經費似乎稍嫌不足扣除演講者的講費及與會者的午餐其餘所剩無幾故將

來補助款若能依參與人數的多寡而稍做調整相信主辦機構能夠為與會者提供更好的服務

- 32 -

訪問教授訪問報告表

姓名 Prof Jean-Franccedilois Carpentier

訪問日期民國 94 年 2 月 20 日 至 民國 94 年 2 月 24 日

接待機構 清華大學化學系 接待人 季昀 教授 聯絡電話 (03) 5712956

訪問重要成果 (如篇幅不足另以A4白紙填寫)

1訪問經過

Prof Jean-Franccedilois Carpentier 於 20 日晚間抵達台灣經過一個晚上的短暫

休息星期一早晨赴台大化學系訪問中午與學生共進午餐交換研究心得並瞭解

該校研究狀況星期二赴淡江化學系訪問中午與晚間分別與學生與教員共進午晚

餐交換研究心得並瞭解該校研究近況並談及如何共同申請中法國際合作專案

星期三赴清大化學系訪問中午與該系教員共進午餐交換研究心得並瞭解該校研

究狀況晚間則回返回台北參觀一年一度的台北國際燈會星期四上午安排私人的

自由活動並赴台北市旅遊景點參訪晚間搭乘飛機離台

2演講行程及概要

2 月 21 日台灣大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 22 日淡江大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 23 日清華大學化學系Towards Green Plastics via Stereoselective Polymerization

of rac-Lactide with Discrete Group 3 Metal Complexes

3 重要收獲及心得

瞭解國際學術界在過渡金屬錯合物鑭系稀土錯合物的合成化學與催化反應方面的前

瞻進展狀態

並為建立合適管道執行未來國際學術合作促進國與國間的人員互動人員的相互

了解而努力

4其他意見

- 33 -

訪問教授訪問報告表

- 34 -

訪問教授訪問報告表

- 35 -

訪問教授訪問報告表

姓名Luis A Marky 教授 University of Nebraska Medical Center

訪問日期民國九十三年十二月四日至十一日

接待機構中央研究院 接待人甘魯生 聯絡電話02 2789 8550

訪問重要成果

訪問經過

Luis Marky 教授早年追隨熱力學

大師 Ken Breslauer之後為紐約

市大學及內布拉斯加州立大學

網羅是一位核酸熱力學專家

其論文發表在 J Am Chem Soc

Biochemistry Nucleic Acids Res

Methods Enzymol等知名國際專業雜誌上Marky 教授早在博士後研究員時即與本

人相識研究領域也相近一直有和他合作共同研究核酸的性質及結構的想法

他也對我們台灣非常友善此次有幸得到化學中心的資助得以邀請 Marky 來台

一方面洽談合作事誼一方面和國內學者及學生會談增進交流宣導有關核酸方

面的研究Marky 教授在短短一週內訪問了四所學術機構也以四個不同的題材

發表了四場學術演講次數相當密集把這次訪問推到最高峰幸好 Marky 教授

並不以為苦所以是一次成功的訪問 演講行程及概要

十二月四日星期六抵台

十二月五日星期日轉赴花蓮

十二月六日星期一

訪問國立東華大學

以ldquoDNA Hairpin Loops Folding Ligand Binding and Hydrationrdquo為題發表專題演講

- 36 -

十二月七日星期二

訪問中央研究院

以rdquoThermodynamics of DNA Triplexes Contributions of Base-Triplet Stacks and Base

Methylationrdquo為題發表專題演講

十二月八日星期三

訪問國立中正大學

以ldquoThermodynamics of DNA Triplexes Containing C-glycosides Basesrdquo為題發表專題

演講

十二月九日星期四

參觀故宮博物院

十二月十日星期五

訪問國立清華大學

以ldquoSherlock Holmesrsquos Adventures with Nucleic Acidsrdquo 為題發表專題演講

十二月十一日離台

重要收獲及心得

Marky 教授在信中稱他對四所訪問的學術機構中央研究院國立東華大學國

立中正大學及國立清華大學的教學及研究都有深刻的印也意外的面試了一位東

華生科所的學生準備收為研究生這是一件互惠之事Marky 教授也非常希望

能和我們合作共同研究

其他意見

(請見 Luis Marky 教授信)

- 37 -

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 17 -

93 學年第二學期 國立東華大學化學系專題演講

週次 日期 演講者 演講題目 邀請者

3 311 呂宗昕 教授 台灣大學化工系

奈米科技與奈米世界 羅幼旭

4 318 林志彪 教授 東華大學化學系

TBA 化學系

5 325 曹英彥 博士 中油公司

Preparation Characterization and Applications of Zeolite-supported

Subnano Metallic Particles

林志彪

7 48 陳慶年 博士 NIH (USA)

Magnetic Resonance Imaging ndash from a chemistrsquos perspective

錢嘉琳

8 415 Dr Wei Gang

Metal Based Self-Assembly in Supramolecular Chemistry

化學系

9 422 裘性天 教授 交通大學應化系

Growth of Inorganic Solids at the Interphase

林志彪

13 520 王雲銘 教授 高醫應化系

Synthesis and characterization of bio-activated contrast agents for Magnetic Resonance Imaging

劉鎮維

14 527 Prof John Z H ZhangNew York Univ

New Quantum Computational Study of Proteins

張秀華

15 63 林震煌 教授 臺灣師範大學化學系

毛細管電泳線上濃縮技術的發展

與應用 何彥鵬

16 610 李衍彰 教授 彰化師範大學化學系

Synthesis of the natural products as anti-tumor agents

註每週五下午 310pm-500pm

理二講堂

- 18 -

淡江大學化學系 93 學年度第(二)學期演講公告 演講時間每週一下午 210~400演講地點教育館 (Q-409)

日期 時間 演講者 演講題目

221(一) 210~400 傅達勳 危險物及毒化物之認識與運作

307(一) 210~400 Prof Yoshito Takeuchi(Kanagawa University)

Organogermanium Chemistry-A Wonderland of Heteroatom Chemistry

314(一) 210~400 張增輝教授 (美國紐約大學)

321(一) 210~400 施增廉 (淡江大學化學系)

Syntheses of a New Trihydroxy Piperidine Derivative Quercitols and Azepanes for Glycosidase Inhibitors from D-(-)-quinic Acid

328(一) 210~400 陳振漢

(國防醫學院生物晶片

中心)

蛋白質體技術之發展與應用

418(一) 210~400 林唯芳教授 (台大材料系)

分子奈米材料及元件應用

425(一) 210~400 刁維光副教授 (交大應化所)

紫質分子在奈米結構中的光物理與光化學

502(一) 210~400 楊禮明教授 (中國醫藥研究所)

509(一) 210~400 劉廣定教授 (台大化學系)

永續化學與液晶製備

516(一) 210~400 林倫年副研究員 (台大凝態中心)

523(一) 210~400 翁啟惠院士 (中研院)

化學生物與後基因時代之研究

530(一) 210~400 曾惠芳助理教授 (暨大應化系)

毛細管電泳在生化分析上的應用

606(一) 210~400 侯敦仁助理教授 (中央大學化學系)

合環歧化(Ring-Closing Metathesis)之合成

應用

613(一) 210~400 謝明發研究員 (工研院)

The polymeric nano-particles for drug delivery vehicles

- 19 -

中原大學化學系

93 學年度下學期-「學術專題演講」日程表

時間每週三 1500-1630

地點理學館 1樓講堂

主持人葉華光老師 聯絡電話03-2653305 日期 講員 標題 負責

實驗室

223 休息

32 中研院化學研究

所孫世勝博士 Fluorescent Conjugated Polymer-Based Chemosensors

楊千金老師

Lab

39 休息

316 中興大學化學系

林寬鋸教授

未定 葉華光老師

Lab

323 休息 (運動會)

330 南台科技大學

林鴻儒教授 Porous Scaffolds for Bone Tissue Engineering

李世琛老師

Lab

46 休息 (校外實習週)

413 台大醫學院

藥學研究所

李水盛教授

未定 蔡宗燕老師

Lab

420 休息 (期中考)

427 國立陽明大學

周成功教授 How to Struggle with a Novel Gene in the Genome Era

葉瑞銘老師

Lab

54 東吳大學

傅明仁教授 Drug analysis by LC-ES-MS

蔡祐輔老師

Lab

511 休息

518 休息

525 國立成功大學

林弘萍教授

中孔洞氧化矽和碳材料合成與應用 江彰吉老師

Lab

61 華邦電子

周良奎經理

The application of CMP in IC Fabrication

陳玉惠老師

Lab

68 清華大學化學系

劉行讓教授 Reductive Decyanation A Powerful Tool in Organic Synthesis

黃悉雅老師

Lab

615 休息

備註1 請各場次負責的實驗室於演講前做好教具測試 2 自本學期起各場次負責之實驗室僅提供茶水不再準備點心

- 20 -

國立嘉義大學應用化學系 九十三學年度第二學期演講公告

(學期中演講增刪或更新請以即期演講公告為準)

日期 時間 演 講 者 講 題

223

(三) pm1520

~1700 陳勁初主任 (葡萄王生技中心主任)

生技保健食品開發

302

(三) pm1520

~1700 陳泊余教授(高雄醫學大學 醫藥暨應用化學系)

The application of ionic liquids in electrochemistry

316

(三) Pm1520

~1700 陳焜銘教授 (師範大學化學系)

The development of camphor derived chiral ligands for asymmetric reactions

323

(三) pm1520

~1700 何佳安教授 (暨南大學化學系)

Liposome in Diagnostic Microbiology

330

(三) pm1330

~1510 夏克山博士 (國家衛生研究院)

Discovery of New Stem Cell Mobilizers Antagonizing CXCR4 Chemokine Receptor

406

(三) pm1520

~1700 陳幹男教授 (淡江大學化學系)

Hybridization of Aqueous-based Polymers

413

(三) pm1520

~1700 汪炳鈞教授 (清華大學化學系)

Asymmetric Synthesis Using Camphor Derived Chiral Ligands

504

(三) pm1520

~1700 林震煌教授 (師範大學化學系)

毛細管電泳線上濃縮技術的發展

與應用

427

(三) pm1520

~1700 劉英麟教授 (中原大學化工系)

應用二氧化矽奈米粒子於高分子

材料改質

註演講地點在工程館四樓視聽教室

- 21 -

中 央 研 究 院 化 學 研 究 所 INSTITUTE OF CHEMISTRY ACADEMIA SINICA

學 術 演 講 (Chemistry Colloquium)

0106 (四) 1530

唐本忠教授 香港科技大學 (推薦人 陶雨台教授) Light-Emitting Polyenes Polyynes and Polyarylenes

0110 (一) 1530

Prof Rudy Marcus California Institute of Technology USA (推薦人 許昭萍教授) Puzzling phenomena in the fluorescence intermittency of single quantum dots theory and experiment (地點 周大紓講堂)

0114 (五) 1530

Prof Samson A Jenekhe University of Washington USA (推薦人 陶雨台教授) Organic Electronics and Optoelectronics

0125 (二) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Design and Synthesis of Tumor-Targeting Boron Molecules

0126 (三) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Chemistry of Bis-π-allylpalladium for Organic Synthesis

0127 (四) 1530

Prof Teruo Shinmyozu Kyushu University Japan (推薦人 周大新教授) Synthesis Structure and Photochemical Properties of [3n]Cyclophanes (n = 2-6)

0129 (六) 功能性有機化合物的分子建構 小型研討會

0202 (三) 1530

曾志明教授 國立中興大學 (推薦人 陳錦地教授) Addressing grand energy challenges through advanced materials

0203 (四) 1030

江明錫博士 國立清華大學 (Interview Talk) f-ion speciation and d-f interaction toward electrocatalysis LnAn-polyoxotungstates

0218 (五) 1030

Dr Tiow-Gan Ong University of Ottawa Canada The stories of rationally designing a Guanidinate transition metal Complexes and constructing a Stable Carbene with a Novel Topology and Electronic Framework Their Role in Catalysis

0221 (一) 1030

Dr Chi-Wing Tsang University of British Columbia Canada (Interview Talk) Carborane - A New Weakly Coordinating Anion Utilizing P=C bonds in Polymer Chemistry

0225 (五) 1030

Dr Chen-Hsiung Hung National Changhua University of Education Metal Assisted Small Molecule Activations Using Porphyrin Analogues or NNO-Scorpionates as Ligands

0226 (六) 周大紓先生紀念研討會 (Ta-shue Chou Memorial Lecture) (地點 周大紓講堂)

0301 (二) 1030

Dr Wen-Yuan Hsieh Purdue University Synthesis Characterization of monomeric and dimeric Mn complexes

0302 (三) 1400

Prof Peter Chen Swiss Federal Institute of Technology Zurich Switzerland (推薦人 陸天堯教授) Organometallic Chemistry by ESI-MSMS High Valent Oxo Complexes Diolates Metallaoxetanes and Carbenes

0302 (三) 1530

Dr Sarah Thomas Royal Society of Chemistry Publishing Why Where and How (地點 周大紓講堂)

- 22 -

0303 (四) 1430

Prof Pierre Vogel Swiss Federal Institute of Technology Lausanne Switzerland (推薦人 陸天堯教授) Carbohydrate Mimetics Synthesis of C-Disaccharides Imino-C-disaccharides and Analogs and their Biological Properties

0303 (四) 1530

Prof Jay S Siegel University of Zurich Switzerland (推薦人 陸天堯教授) Cheap Fast and Out of Control Rationale for Combinatorial Chemistry

0304-05

第一屆台灣-瑞士雙邊有機合成研討會 Joint Swiss-Taiwanese Meeting ldquoFrontiers in Organic Synthesisrdquo (地點 國立台灣大學 原分所浦大邦演講廳)

0309 (三) Symposium

ldquoPhysical Studies on Photo- or Electron-responsive Materials 0310(四)

1400 陳月枝教授 國立交通大學 (推薦人 陳玉如教授) Title to be annouced

0324(四) 1530

王惠鈞所長 中研院生化所 (推薦人 陳長謙所長) Title to be announced

0407(四) 1530

Prof Richard Taylor University of York (推薦人 陸天堯教授) Title to be announced

0421(四) 1530

Prof Biswanath Das Indian Institute of Chemical Technology India (推薦人 畢爾曼教授) Investigation on Some Fundamental Reactions

地點A108 會議室 Revised on February 21 2005

- 23 -

國立彰化師範大學化學系九十三學年下學期專題演講一覽表

時間 演講者 服務單位 演講題目 地點 推薦人

411

pm 200 林建村

中央研究

院化學所 Electro-optic Materials from OLEDs to photovoltaics

藝薈館

系演講廳 李漢文

418

pm200 梁博煌

中央研究

院生化所 Anti-infectious drug discovery藝薈館

系演講廳 李衍彰

425

pm200 傅傳博

暨南大學

應化系 Development of Magnetic Separation for Analytical Chemistry

藝薈館

系演講廳 林秋薰

59

pm 200 蔡易州

清華大學

化學系 The power of Meal-Metal Multiple bonds

藝薈館

系演講廳 黃瑞賢

516

pm200 孫仲銘

東華大學

化學系 微波抗腫瘤藥物分子庫合成藝薈館

系演講廳 李衍彰

523

pm200 許昭萍

中央研究

院化學所 Electronic Coupling for electron transfer methods and applications

藝薈館

系演講廳 胡景瀚

66

pm200 林敬堯暨南大學

應化系

Tailoring ethynyl substituted porphyrins for photonic electrochemical and nano-related researches

藝薈館

系演講廳 洪政雄

613

pm200 莊琇惠

高雄大學

應化系 Chemical Vapor Deposition of Hafnium Oxonitride as High-k Materials

藝薈館

系演講廳 黃瑞賢

- 24 -

- 25 -

- 26 -

- 27 -

- 28 -

- 29 -

- 30 -

國科會化學推動中心補助學術研討會成果報告表

會議名稱94 年第一次國科會分析化學小組研討會

舉辦日期民國 94 年 2 月 19 日 至 民國 94 年 2 月 19 日

主辦機構國立中醫藥研究所國科會分析化學小組主持人蔡東湖傅明仁

舉辦地點國立中醫藥研究所 聯絡電話 02-2820 1999 ext 8091

出席人數工業界 人學術界(含學生) 110 人 共 110 人

會議重要成果 (如篇幅不足另以A4白紙填寫)

會議經過及議程

0900~0930 報到 0930~0940 主席國科會分析化學小組召集人傅明仁教授 0940~0950 致歡迎詞吳天賞教授 國立中醫藥研究所所長 0950~1040 專題演講食品中 acrylamide 之分析 周薰修博士 藥物食品檢驗局 主持人傅明仁教授 (東吳大學化學系) 1040~1110 茶點時間 1110~1200 專題演講哺乳動物體內 D-乳酸的分析 李仁愛助理教授 台北醫學大學藥學系

主持人蔡東湖教授 (國立中醫藥研究所) 1200~1320 中餐休息 1320~1410 專題演講利用分子轉印技術在人體肝臟細胞中重金屬中毒的飛 行式二次離子質譜儀(TOF-SIMS)離子影像分析研究 麥富德助理教授 中山醫學大學應用化學系

主持人李茂榮教授 (中興大學化學系) 1410~1500 專題演講具奈米結構之鋰電池電極材料研製與電化學析 劉茂煌助理教授 輔大化學系 主持人何國榮教授 (台灣大學化學系) 1500~1530 茶點時間 1530~1630 綜合座談跨領域幹細胞整合計畫

陳甫州教授 台中榮民總醫院 1630- 會議結束

- 31 -

重要收穫及心得

藉由此次會議接觸到來自各方的學術研究同仁也許各自專長的領域不盡相同但

對於分析化學的研究與應用有著彼此相同的努力目標相互的討論及觀摩不僅僅是成果

的分享更進一步帶來跨領域的合作靈感與契機

近來科學的發展已不再只靠一個人或一間實驗室單打獨鬥不同領域的結合發展漸

成顯學資訊與技術的交流也許會產生比預期更巨大的突破以生物科學這一個大的範

疇為例若缺少化學物理與數學的助益恐怕連傳統遺傳學理論都無法發展以古視今

現今各個次領域都擁有其各自的專長就跨領域幹細胞整合計畫而言只包含分生生理

的人才絕對不足分析化學甚至藥學的知識與技術也有其立足之地國科會分析化學小組

研討會就提供了這麼一個交流與合作的園地結合彼此的力量共同思考更遠大的未來 建議

首先先謝謝國科會化學推動中心的支持國科會分析化學小組的努力及國立中醫藥

研究所的配合使此次會議圓滿完成由於報名踴躍就一個一百多人參與的會議來說

此次補助的經費似乎稍嫌不足扣除演講者的講費及與會者的午餐其餘所剩無幾故將

來補助款若能依參與人數的多寡而稍做調整相信主辦機構能夠為與會者提供更好的服務

- 32 -

訪問教授訪問報告表

姓名 Prof Jean-Franccedilois Carpentier

訪問日期民國 94 年 2 月 20 日 至 民國 94 年 2 月 24 日

接待機構 清華大學化學系 接待人 季昀 教授 聯絡電話 (03) 5712956

訪問重要成果 (如篇幅不足另以A4白紙填寫)

1訪問經過

Prof Jean-Franccedilois Carpentier 於 20 日晚間抵達台灣經過一個晚上的短暫

休息星期一早晨赴台大化學系訪問中午與學生共進午餐交換研究心得並瞭解

該校研究狀況星期二赴淡江化學系訪問中午與晚間分別與學生與教員共進午晚

餐交換研究心得並瞭解該校研究近況並談及如何共同申請中法國際合作專案

星期三赴清大化學系訪問中午與該系教員共進午餐交換研究心得並瞭解該校研

究狀況晚間則回返回台北參觀一年一度的台北國際燈會星期四上午安排私人的

自由活動並赴台北市旅遊景點參訪晚間搭乘飛機離台

2演講行程及概要

2 月 21 日台灣大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 22 日淡江大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 23 日清華大學化學系Towards Green Plastics via Stereoselective Polymerization

of rac-Lactide with Discrete Group 3 Metal Complexes

3 重要收獲及心得

瞭解國際學術界在過渡金屬錯合物鑭系稀土錯合物的合成化學與催化反應方面的前

瞻進展狀態

並為建立合適管道執行未來國際學術合作促進國與國間的人員互動人員的相互

了解而努力

4其他意見

- 33 -

訪問教授訪問報告表

- 34 -

訪問教授訪問報告表

- 35 -

訪問教授訪問報告表

姓名Luis A Marky 教授 University of Nebraska Medical Center

訪問日期民國九十三年十二月四日至十一日

接待機構中央研究院 接待人甘魯生 聯絡電話02 2789 8550

訪問重要成果

訪問經過

Luis Marky 教授早年追隨熱力學

大師 Ken Breslauer之後為紐約

市大學及內布拉斯加州立大學

網羅是一位核酸熱力學專家

其論文發表在 J Am Chem Soc

Biochemistry Nucleic Acids Res

Methods Enzymol等知名國際專業雜誌上Marky 教授早在博士後研究員時即與本

人相識研究領域也相近一直有和他合作共同研究核酸的性質及結構的想法

他也對我們台灣非常友善此次有幸得到化學中心的資助得以邀請 Marky 來台

一方面洽談合作事誼一方面和國內學者及學生會談增進交流宣導有關核酸方

面的研究Marky 教授在短短一週內訪問了四所學術機構也以四個不同的題材

發表了四場學術演講次數相當密集把這次訪問推到最高峰幸好 Marky 教授

並不以為苦所以是一次成功的訪問 演講行程及概要

十二月四日星期六抵台

十二月五日星期日轉赴花蓮

十二月六日星期一

訪問國立東華大學

以ldquoDNA Hairpin Loops Folding Ligand Binding and Hydrationrdquo為題發表專題演講

- 36 -

十二月七日星期二

訪問中央研究院

以rdquoThermodynamics of DNA Triplexes Contributions of Base-Triplet Stacks and Base

Methylationrdquo為題發表專題演講

十二月八日星期三

訪問國立中正大學

以ldquoThermodynamics of DNA Triplexes Containing C-glycosides Basesrdquo為題發表專題

演講

十二月九日星期四

參觀故宮博物院

十二月十日星期五

訪問國立清華大學

以ldquoSherlock Holmesrsquos Adventures with Nucleic Acidsrdquo 為題發表專題演講

十二月十一日離台

重要收獲及心得

Marky 教授在信中稱他對四所訪問的學術機構中央研究院國立東華大學國

立中正大學及國立清華大學的教學及研究都有深刻的印也意外的面試了一位東

華生科所的學生準備收為研究生這是一件互惠之事Marky 教授也非常希望

能和我們合作共同研究

其他意見

(請見 Luis Marky 教授信)

- 37 -

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 18 -

淡江大學化學系 93 學年度第(二)學期演講公告 演講時間每週一下午 210~400演講地點教育館 (Q-409)

日期 時間 演講者 演講題目

221(一) 210~400 傅達勳 危險物及毒化物之認識與運作

307(一) 210~400 Prof Yoshito Takeuchi(Kanagawa University)

Organogermanium Chemistry-A Wonderland of Heteroatom Chemistry

314(一) 210~400 張增輝教授 (美國紐約大學)

321(一) 210~400 施增廉 (淡江大學化學系)

Syntheses of a New Trihydroxy Piperidine Derivative Quercitols and Azepanes for Glycosidase Inhibitors from D-(-)-quinic Acid

328(一) 210~400 陳振漢

(國防醫學院生物晶片

中心)

蛋白質體技術之發展與應用

418(一) 210~400 林唯芳教授 (台大材料系)

分子奈米材料及元件應用

425(一) 210~400 刁維光副教授 (交大應化所)

紫質分子在奈米結構中的光物理與光化學

502(一) 210~400 楊禮明教授 (中國醫藥研究所)

509(一) 210~400 劉廣定教授 (台大化學系)

永續化學與液晶製備

516(一) 210~400 林倫年副研究員 (台大凝態中心)

523(一) 210~400 翁啟惠院士 (中研院)

化學生物與後基因時代之研究

530(一) 210~400 曾惠芳助理教授 (暨大應化系)

毛細管電泳在生化分析上的應用

606(一) 210~400 侯敦仁助理教授 (中央大學化學系)

合環歧化(Ring-Closing Metathesis)之合成

應用

613(一) 210~400 謝明發研究員 (工研院)

The polymeric nano-particles for drug delivery vehicles

- 19 -

中原大學化學系

93 學年度下學期-「學術專題演講」日程表

時間每週三 1500-1630

地點理學館 1樓講堂

主持人葉華光老師 聯絡電話03-2653305 日期 講員 標題 負責

實驗室

223 休息

32 中研院化學研究

所孫世勝博士 Fluorescent Conjugated Polymer-Based Chemosensors

楊千金老師

Lab

39 休息

316 中興大學化學系

林寬鋸教授

未定 葉華光老師

Lab

323 休息 (運動會)

330 南台科技大學

林鴻儒教授 Porous Scaffolds for Bone Tissue Engineering

李世琛老師

Lab

46 休息 (校外實習週)

413 台大醫學院

藥學研究所

李水盛教授

未定 蔡宗燕老師

Lab

420 休息 (期中考)

427 國立陽明大學

周成功教授 How to Struggle with a Novel Gene in the Genome Era

葉瑞銘老師

Lab

54 東吳大學

傅明仁教授 Drug analysis by LC-ES-MS

蔡祐輔老師

Lab

511 休息

518 休息

525 國立成功大學

林弘萍教授

中孔洞氧化矽和碳材料合成與應用 江彰吉老師

Lab

61 華邦電子

周良奎經理

The application of CMP in IC Fabrication

陳玉惠老師

Lab

68 清華大學化學系

劉行讓教授 Reductive Decyanation A Powerful Tool in Organic Synthesis

黃悉雅老師

Lab

615 休息

備註1 請各場次負責的實驗室於演講前做好教具測試 2 自本學期起各場次負責之實驗室僅提供茶水不再準備點心

- 20 -

國立嘉義大學應用化學系 九十三學年度第二學期演講公告

(學期中演講增刪或更新請以即期演講公告為準)

日期 時間 演 講 者 講 題

223

(三) pm1520

~1700 陳勁初主任 (葡萄王生技中心主任)

生技保健食品開發

302

(三) pm1520

~1700 陳泊余教授(高雄醫學大學 醫藥暨應用化學系)

The application of ionic liquids in electrochemistry

316

(三) Pm1520

~1700 陳焜銘教授 (師範大學化學系)

The development of camphor derived chiral ligands for asymmetric reactions

323

(三) pm1520

~1700 何佳安教授 (暨南大學化學系)

Liposome in Diagnostic Microbiology

330

(三) pm1330

~1510 夏克山博士 (國家衛生研究院)

Discovery of New Stem Cell Mobilizers Antagonizing CXCR4 Chemokine Receptor

406

(三) pm1520

~1700 陳幹男教授 (淡江大學化學系)

Hybridization of Aqueous-based Polymers

413

(三) pm1520

~1700 汪炳鈞教授 (清華大學化學系)

Asymmetric Synthesis Using Camphor Derived Chiral Ligands

504

(三) pm1520

~1700 林震煌教授 (師範大學化學系)

毛細管電泳線上濃縮技術的發展

與應用

427

(三) pm1520

~1700 劉英麟教授 (中原大學化工系)

應用二氧化矽奈米粒子於高分子

材料改質

註演講地點在工程館四樓視聽教室

- 21 -

中 央 研 究 院 化 學 研 究 所 INSTITUTE OF CHEMISTRY ACADEMIA SINICA

學 術 演 講 (Chemistry Colloquium)

0106 (四) 1530

唐本忠教授 香港科技大學 (推薦人 陶雨台教授) Light-Emitting Polyenes Polyynes and Polyarylenes

0110 (一) 1530

Prof Rudy Marcus California Institute of Technology USA (推薦人 許昭萍教授) Puzzling phenomena in the fluorescence intermittency of single quantum dots theory and experiment (地點 周大紓講堂)

0114 (五) 1530

Prof Samson A Jenekhe University of Washington USA (推薦人 陶雨台教授) Organic Electronics and Optoelectronics

0125 (二) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Design and Synthesis of Tumor-Targeting Boron Molecules

0126 (三) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Chemistry of Bis-π-allylpalladium for Organic Synthesis

0127 (四) 1530

Prof Teruo Shinmyozu Kyushu University Japan (推薦人 周大新教授) Synthesis Structure and Photochemical Properties of [3n]Cyclophanes (n = 2-6)

0129 (六) 功能性有機化合物的分子建構 小型研討會

0202 (三) 1530

曾志明教授 國立中興大學 (推薦人 陳錦地教授) Addressing grand energy challenges through advanced materials

0203 (四) 1030

江明錫博士 國立清華大學 (Interview Talk) f-ion speciation and d-f interaction toward electrocatalysis LnAn-polyoxotungstates

0218 (五) 1030

Dr Tiow-Gan Ong University of Ottawa Canada The stories of rationally designing a Guanidinate transition metal Complexes and constructing a Stable Carbene with a Novel Topology and Electronic Framework Their Role in Catalysis

0221 (一) 1030

Dr Chi-Wing Tsang University of British Columbia Canada (Interview Talk) Carborane - A New Weakly Coordinating Anion Utilizing P=C bonds in Polymer Chemistry

0225 (五) 1030

Dr Chen-Hsiung Hung National Changhua University of Education Metal Assisted Small Molecule Activations Using Porphyrin Analogues or NNO-Scorpionates as Ligands

0226 (六) 周大紓先生紀念研討會 (Ta-shue Chou Memorial Lecture) (地點 周大紓講堂)

0301 (二) 1030

Dr Wen-Yuan Hsieh Purdue University Synthesis Characterization of monomeric and dimeric Mn complexes

0302 (三) 1400

Prof Peter Chen Swiss Federal Institute of Technology Zurich Switzerland (推薦人 陸天堯教授) Organometallic Chemistry by ESI-MSMS High Valent Oxo Complexes Diolates Metallaoxetanes and Carbenes

0302 (三) 1530

Dr Sarah Thomas Royal Society of Chemistry Publishing Why Where and How (地點 周大紓講堂)

- 22 -

0303 (四) 1430

Prof Pierre Vogel Swiss Federal Institute of Technology Lausanne Switzerland (推薦人 陸天堯教授) Carbohydrate Mimetics Synthesis of C-Disaccharides Imino-C-disaccharides and Analogs and their Biological Properties

0303 (四) 1530

Prof Jay S Siegel University of Zurich Switzerland (推薦人 陸天堯教授) Cheap Fast and Out of Control Rationale for Combinatorial Chemistry

0304-05

第一屆台灣-瑞士雙邊有機合成研討會 Joint Swiss-Taiwanese Meeting ldquoFrontiers in Organic Synthesisrdquo (地點 國立台灣大學 原分所浦大邦演講廳)

0309 (三) Symposium

ldquoPhysical Studies on Photo- or Electron-responsive Materials 0310(四)

1400 陳月枝教授 國立交通大學 (推薦人 陳玉如教授) Title to be annouced

0324(四) 1530

王惠鈞所長 中研院生化所 (推薦人 陳長謙所長) Title to be announced

0407(四) 1530

Prof Richard Taylor University of York (推薦人 陸天堯教授) Title to be announced

0421(四) 1530

Prof Biswanath Das Indian Institute of Chemical Technology India (推薦人 畢爾曼教授) Investigation on Some Fundamental Reactions

地點A108 會議室 Revised on February 21 2005

- 23 -

國立彰化師範大學化學系九十三學年下學期專題演講一覽表

時間 演講者 服務單位 演講題目 地點 推薦人

411

pm 200 林建村

中央研究

院化學所 Electro-optic Materials from OLEDs to photovoltaics

藝薈館

系演講廳 李漢文

418

pm200 梁博煌

中央研究

院生化所 Anti-infectious drug discovery藝薈館

系演講廳 李衍彰

425

pm200 傅傳博

暨南大學

應化系 Development of Magnetic Separation for Analytical Chemistry

藝薈館

系演講廳 林秋薰

59

pm 200 蔡易州

清華大學

化學系 The power of Meal-Metal Multiple bonds

藝薈館

系演講廳 黃瑞賢

516

pm200 孫仲銘

東華大學

化學系 微波抗腫瘤藥物分子庫合成藝薈館

系演講廳 李衍彰

523

pm200 許昭萍

中央研究

院化學所 Electronic Coupling for electron transfer methods and applications

藝薈館

系演講廳 胡景瀚

66

pm200 林敬堯暨南大學

應化系

Tailoring ethynyl substituted porphyrins for photonic electrochemical and nano-related researches

藝薈館

系演講廳 洪政雄

613

pm200 莊琇惠

高雄大學

應化系 Chemical Vapor Deposition of Hafnium Oxonitride as High-k Materials

藝薈館

系演講廳 黃瑞賢

- 24 -

- 25 -

- 26 -

- 27 -

- 28 -

- 29 -

- 30 -

國科會化學推動中心補助學術研討會成果報告表

會議名稱94 年第一次國科會分析化學小組研討會

舉辦日期民國 94 年 2 月 19 日 至 民國 94 年 2 月 19 日

主辦機構國立中醫藥研究所國科會分析化學小組主持人蔡東湖傅明仁

舉辦地點國立中醫藥研究所 聯絡電話 02-2820 1999 ext 8091

出席人數工業界 人學術界(含學生) 110 人 共 110 人

會議重要成果 (如篇幅不足另以A4白紙填寫)

會議經過及議程

0900~0930 報到 0930~0940 主席國科會分析化學小組召集人傅明仁教授 0940~0950 致歡迎詞吳天賞教授 國立中醫藥研究所所長 0950~1040 專題演講食品中 acrylamide 之分析 周薰修博士 藥物食品檢驗局 主持人傅明仁教授 (東吳大學化學系) 1040~1110 茶點時間 1110~1200 專題演講哺乳動物體內 D-乳酸的分析 李仁愛助理教授 台北醫學大學藥學系

主持人蔡東湖教授 (國立中醫藥研究所) 1200~1320 中餐休息 1320~1410 專題演講利用分子轉印技術在人體肝臟細胞中重金屬中毒的飛 行式二次離子質譜儀(TOF-SIMS)離子影像分析研究 麥富德助理教授 中山醫學大學應用化學系

主持人李茂榮教授 (中興大學化學系) 1410~1500 專題演講具奈米結構之鋰電池電極材料研製與電化學析 劉茂煌助理教授 輔大化學系 主持人何國榮教授 (台灣大學化學系) 1500~1530 茶點時間 1530~1630 綜合座談跨領域幹細胞整合計畫

陳甫州教授 台中榮民總醫院 1630- 會議結束

- 31 -

重要收穫及心得

藉由此次會議接觸到來自各方的學術研究同仁也許各自專長的領域不盡相同但

對於分析化學的研究與應用有著彼此相同的努力目標相互的討論及觀摩不僅僅是成果

的分享更進一步帶來跨領域的合作靈感與契機

近來科學的發展已不再只靠一個人或一間實驗室單打獨鬥不同領域的結合發展漸

成顯學資訊與技術的交流也許會產生比預期更巨大的突破以生物科學這一個大的範

疇為例若缺少化學物理與數學的助益恐怕連傳統遺傳學理論都無法發展以古視今

現今各個次領域都擁有其各自的專長就跨領域幹細胞整合計畫而言只包含分生生理

的人才絕對不足分析化學甚至藥學的知識與技術也有其立足之地國科會分析化學小組

研討會就提供了這麼一個交流與合作的園地結合彼此的力量共同思考更遠大的未來 建議

首先先謝謝國科會化學推動中心的支持國科會分析化學小組的努力及國立中醫藥

研究所的配合使此次會議圓滿完成由於報名踴躍就一個一百多人參與的會議來說

此次補助的經費似乎稍嫌不足扣除演講者的講費及與會者的午餐其餘所剩無幾故將

來補助款若能依參與人數的多寡而稍做調整相信主辦機構能夠為與會者提供更好的服務

- 32 -

訪問教授訪問報告表

姓名 Prof Jean-Franccedilois Carpentier

訪問日期民國 94 年 2 月 20 日 至 民國 94 年 2 月 24 日

接待機構 清華大學化學系 接待人 季昀 教授 聯絡電話 (03) 5712956

訪問重要成果 (如篇幅不足另以A4白紙填寫)

1訪問經過

Prof Jean-Franccedilois Carpentier 於 20 日晚間抵達台灣經過一個晚上的短暫

休息星期一早晨赴台大化學系訪問中午與學生共進午餐交換研究心得並瞭解

該校研究狀況星期二赴淡江化學系訪問中午與晚間分別與學生與教員共進午晚

餐交換研究心得並瞭解該校研究近況並談及如何共同申請中法國際合作專案

星期三赴清大化學系訪問中午與該系教員共進午餐交換研究心得並瞭解該校研

究狀況晚間則回返回台北參觀一年一度的台北國際燈會星期四上午安排私人的

自由活動並赴台北市旅遊景點參訪晚間搭乘飛機離台

2演講行程及概要

2 月 21 日台灣大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 22 日淡江大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 23 日清華大學化學系Towards Green Plastics via Stereoselective Polymerization

of rac-Lactide with Discrete Group 3 Metal Complexes

3 重要收獲及心得

瞭解國際學術界在過渡金屬錯合物鑭系稀土錯合物的合成化學與催化反應方面的前

瞻進展狀態

並為建立合適管道執行未來國際學術合作促進國與國間的人員互動人員的相互

了解而努力

4其他意見

- 33 -

訪問教授訪問報告表

- 34 -

訪問教授訪問報告表

- 35 -

訪問教授訪問報告表

姓名Luis A Marky 教授 University of Nebraska Medical Center

訪問日期民國九十三年十二月四日至十一日

接待機構中央研究院 接待人甘魯生 聯絡電話02 2789 8550

訪問重要成果

訪問經過

Luis Marky 教授早年追隨熱力學

大師 Ken Breslauer之後為紐約

市大學及內布拉斯加州立大學

網羅是一位核酸熱力學專家

其論文發表在 J Am Chem Soc

Biochemistry Nucleic Acids Res

Methods Enzymol等知名國際專業雜誌上Marky 教授早在博士後研究員時即與本

人相識研究領域也相近一直有和他合作共同研究核酸的性質及結構的想法

他也對我們台灣非常友善此次有幸得到化學中心的資助得以邀請 Marky 來台

一方面洽談合作事誼一方面和國內學者及學生會談增進交流宣導有關核酸方

面的研究Marky 教授在短短一週內訪問了四所學術機構也以四個不同的題材

發表了四場學術演講次數相當密集把這次訪問推到最高峰幸好 Marky 教授

並不以為苦所以是一次成功的訪問 演講行程及概要

十二月四日星期六抵台

十二月五日星期日轉赴花蓮

十二月六日星期一

訪問國立東華大學

以ldquoDNA Hairpin Loops Folding Ligand Binding and Hydrationrdquo為題發表專題演講

- 36 -

十二月七日星期二

訪問中央研究院

以rdquoThermodynamics of DNA Triplexes Contributions of Base-Triplet Stacks and Base

Methylationrdquo為題發表專題演講

十二月八日星期三

訪問國立中正大學

以ldquoThermodynamics of DNA Triplexes Containing C-glycosides Basesrdquo為題發表專題

演講

十二月九日星期四

參觀故宮博物院

十二月十日星期五

訪問國立清華大學

以ldquoSherlock Holmesrsquos Adventures with Nucleic Acidsrdquo 為題發表專題演講

十二月十一日離台

重要收獲及心得

Marky 教授在信中稱他對四所訪問的學術機構中央研究院國立東華大學國

立中正大學及國立清華大學的教學及研究都有深刻的印也意外的面試了一位東

華生科所的學生準備收為研究生這是一件互惠之事Marky 教授也非常希望

能和我們合作共同研究

其他意見

(請見 Luis Marky 教授信)

- 37 -

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 19 -

中原大學化學系

93 學年度下學期-「學術專題演講」日程表

時間每週三 1500-1630

地點理學館 1樓講堂

主持人葉華光老師 聯絡電話03-2653305 日期 講員 標題 負責

實驗室

223 休息

32 中研院化學研究

所孫世勝博士 Fluorescent Conjugated Polymer-Based Chemosensors

楊千金老師

Lab

39 休息

316 中興大學化學系

林寬鋸教授

未定 葉華光老師

Lab

323 休息 (運動會)

330 南台科技大學

林鴻儒教授 Porous Scaffolds for Bone Tissue Engineering

李世琛老師

Lab

46 休息 (校外實習週)

413 台大醫學院

藥學研究所

李水盛教授

未定 蔡宗燕老師

Lab

420 休息 (期中考)

427 國立陽明大學

周成功教授 How to Struggle with a Novel Gene in the Genome Era

葉瑞銘老師

Lab

54 東吳大學

傅明仁教授 Drug analysis by LC-ES-MS

蔡祐輔老師

Lab

511 休息

518 休息

525 國立成功大學

林弘萍教授

中孔洞氧化矽和碳材料合成與應用 江彰吉老師

Lab

61 華邦電子

周良奎經理

The application of CMP in IC Fabrication

陳玉惠老師

Lab

68 清華大學化學系

劉行讓教授 Reductive Decyanation A Powerful Tool in Organic Synthesis

黃悉雅老師

Lab

615 休息

備註1 請各場次負責的實驗室於演講前做好教具測試 2 自本學期起各場次負責之實驗室僅提供茶水不再準備點心

- 20 -

國立嘉義大學應用化學系 九十三學年度第二學期演講公告

(學期中演講增刪或更新請以即期演講公告為準)

日期 時間 演 講 者 講 題

223

(三) pm1520

~1700 陳勁初主任 (葡萄王生技中心主任)

生技保健食品開發

302

(三) pm1520

~1700 陳泊余教授(高雄醫學大學 醫藥暨應用化學系)

The application of ionic liquids in electrochemistry

316

(三) Pm1520

~1700 陳焜銘教授 (師範大學化學系)

The development of camphor derived chiral ligands for asymmetric reactions

323

(三) pm1520

~1700 何佳安教授 (暨南大學化學系)

Liposome in Diagnostic Microbiology

330

(三) pm1330

~1510 夏克山博士 (國家衛生研究院)

Discovery of New Stem Cell Mobilizers Antagonizing CXCR4 Chemokine Receptor

406

(三) pm1520

~1700 陳幹男教授 (淡江大學化學系)

Hybridization of Aqueous-based Polymers

413

(三) pm1520

~1700 汪炳鈞教授 (清華大學化學系)

Asymmetric Synthesis Using Camphor Derived Chiral Ligands

504

(三) pm1520

~1700 林震煌教授 (師範大學化學系)

毛細管電泳線上濃縮技術的發展

與應用

427

(三) pm1520

~1700 劉英麟教授 (中原大學化工系)

應用二氧化矽奈米粒子於高分子

材料改質

註演講地點在工程館四樓視聽教室

- 21 -

中 央 研 究 院 化 學 研 究 所 INSTITUTE OF CHEMISTRY ACADEMIA SINICA

學 術 演 講 (Chemistry Colloquium)

0106 (四) 1530

唐本忠教授 香港科技大學 (推薦人 陶雨台教授) Light-Emitting Polyenes Polyynes and Polyarylenes

0110 (一) 1530

Prof Rudy Marcus California Institute of Technology USA (推薦人 許昭萍教授) Puzzling phenomena in the fluorescence intermittency of single quantum dots theory and experiment (地點 周大紓講堂)

0114 (五) 1530

Prof Samson A Jenekhe University of Washington USA (推薦人 陶雨台教授) Organic Electronics and Optoelectronics

0125 (二) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Design and Synthesis of Tumor-Targeting Boron Molecules

0126 (三) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Chemistry of Bis-π-allylpalladium for Organic Synthesis

0127 (四) 1530

Prof Teruo Shinmyozu Kyushu University Japan (推薦人 周大新教授) Synthesis Structure and Photochemical Properties of [3n]Cyclophanes (n = 2-6)

0129 (六) 功能性有機化合物的分子建構 小型研討會

0202 (三) 1530

曾志明教授 國立中興大學 (推薦人 陳錦地教授) Addressing grand energy challenges through advanced materials

0203 (四) 1030

江明錫博士 國立清華大學 (Interview Talk) f-ion speciation and d-f interaction toward electrocatalysis LnAn-polyoxotungstates

0218 (五) 1030

Dr Tiow-Gan Ong University of Ottawa Canada The stories of rationally designing a Guanidinate transition metal Complexes and constructing a Stable Carbene with a Novel Topology and Electronic Framework Their Role in Catalysis

0221 (一) 1030

Dr Chi-Wing Tsang University of British Columbia Canada (Interview Talk) Carborane - A New Weakly Coordinating Anion Utilizing P=C bonds in Polymer Chemistry

0225 (五) 1030

Dr Chen-Hsiung Hung National Changhua University of Education Metal Assisted Small Molecule Activations Using Porphyrin Analogues or NNO-Scorpionates as Ligands

0226 (六) 周大紓先生紀念研討會 (Ta-shue Chou Memorial Lecture) (地點 周大紓講堂)

0301 (二) 1030

Dr Wen-Yuan Hsieh Purdue University Synthesis Characterization of monomeric and dimeric Mn complexes

0302 (三) 1400

Prof Peter Chen Swiss Federal Institute of Technology Zurich Switzerland (推薦人 陸天堯教授) Organometallic Chemistry by ESI-MSMS High Valent Oxo Complexes Diolates Metallaoxetanes and Carbenes

0302 (三) 1530

Dr Sarah Thomas Royal Society of Chemistry Publishing Why Where and How (地點 周大紓講堂)

- 22 -

0303 (四) 1430

Prof Pierre Vogel Swiss Federal Institute of Technology Lausanne Switzerland (推薦人 陸天堯教授) Carbohydrate Mimetics Synthesis of C-Disaccharides Imino-C-disaccharides and Analogs and their Biological Properties

0303 (四) 1530

Prof Jay S Siegel University of Zurich Switzerland (推薦人 陸天堯教授) Cheap Fast and Out of Control Rationale for Combinatorial Chemistry

0304-05

第一屆台灣-瑞士雙邊有機合成研討會 Joint Swiss-Taiwanese Meeting ldquoFrontiers in Organic Synthesisrdquo (地點 國立台灣大學 原分所浦大邦演講廳)

0309 (三) Symposium

ldquoPhysical Studies on Photo- or Electron-responsive Materials 0310(四)

1400 陳月枝教授 國立交通大學 (推薦人 陳玉如教授) Title to be annouced

0324(四) 1530

王惠鈞所長 中研院生化所 (推薦人 陳長謙所長) Title to be announced

0407(四) 1530

Prof Richard Taylor University of York (推薦人 陸天堯教授) Title to be announced

0421(四) 1530

Prof Biswanath Das Indian Institute of Chemical Technology India (推薦人 畢爾曼教授) Investigation on Some Fundamental Reactions

地點A108 會議室 Revised on February 21 2005

- 23 -

國立彰化師範大學化學系九十三學年下學期專題演講一覽表

時間 演講者 服務單位 演講題目 地點 推薦人

411

pm 200 林建村

中央研究

院化學所 Electro-optic Materials from OLEDs to photovoltaics

藝薈館

系演講廳 李漢文

418

pm200 梁博煌

中央研究

院生化所 Anti-infectious drug discovery藝薈館

系演講廳 李衍彰

425

pm200 傅傳博

暨南大學

應化系 Development of Magnetic Separation for Analytical Chemistry

藝薈館

系演講廳 林秋薰

59

pm 200 蔡易州

清華大學

化學系 The power of Meal-Metal Multiple bonds

藝薈館

系演講廳 黃瑞賢

516

pm200 孫仲銘

東華大學

化學系 微波抗腫瘤藥物分子庫合成藝薈館

系演講廳 李衍彰

523

pm200 許昭萍

中央研究

院化學所 Electronic Coupling for electron transfer methods and applications

藝薈館

系演講廳 胡景瀚

66

pm200 林敬堯暨南大學

應化系

Tailoring ethynyl substituted porphyrins for photonic electrochemical and nano-related researches

藝薈館

系演講廳 洪政雄

613

pm200 莊琇惠

高雄大學

應化系 Chemical Vapor Deposition of Hafnium Oxonitride as High-k Materials

藝薈館

系演講廳 黃瑞賢

- 24 -

- 25 -

- 26 -

- 27 -

- 28 -

- 29 -

- 30 -

國科會化學推動中心補助學術研討會成果報告表

會議名稱94 年第一次國科會分析化學小組研討會

舉辦日期民國 94 年 2 月 19 日 至 民國 94 年 2 月 19 日

主辦機構國立中醫藥研究所國科會分析化學小組主持人蔡東湖傅明仁

舉辦地點國立中醫藥研究所 聯絡電話 02-2820 1999 ext 8091

出席人數工業界 人學術界(含學生) 110 人 共 110 人

會議重要成果 (如篇幅不足另以A4白紙填寫)

會議經過及議程

0900~0930 報到 0930~0940 主席國科會分析化學小組召集人傅明仁教授 0940~0950 致歡迎詞吳天賞教授 國立中醫藥研究所所長 0950~1040 專題演講食品中 acrylamide 之分析 周薰修博士 藥物食品檢驗局 主持人傅明仁教授 (東吳大學化學系) 1040~1110 茶點時間 1110~1200 專題演講哺乳動物體內 D-乳酸的分析 李仁愛助理教授 台北醫學大學藥學系

主持人蔡東湖教授 (國立中醫藥研究所) 1200~1320 中餐休息 1320~1410 專題演講利用分子轉印技術在人體肝臟細胞中重金屬中毒的飛 行式二次離子質譜儀(TOF-SIMS)離子影像分析研究 麥富德助理教授 中山醫學大學應用化學系

主持人李茂榮教授 (中興大學化學系) 1410~1500 專題演講具奈米結構之鋰電池電極材料研製與電化學析 劉茂煌助理教授 輔大化學系 主持人何國榮教授 (台灣大學化學系) 1500~1530 茶點時間 1530~1630 綜合座談跨領域幹細胞整合計畫

陳甫州教授 台中榮民總醫院 1630- 會議結束

- 31 -

重要收穫及心得

藉由此次會議接觸到來自各方的學術研究同仁也許各自專長的領域不盡相同但

對於分析化學的研究與應用有著彼此相同的努力目標相互的討論及觀摩不僅僅是成果

的分享更進一步帶來跨領域的合作靈感與契機

近來科學的發展已不再只靠一個人或一間實驗室單打獨鬥不同領域的結合發展漸

成顯學資訊與技術的交流也許會產生比預期更巨大的突破以生物科學這一個大的範

疇為例若缺少化學物理與數學的助益恐怕連傳統遺傳學理論都無法發展以古視今

現今各個次領域都擁有其各自的專長就跨領域幹細胞整合計畫而言只包含分生生理

的人才絕對不足分析化學甚至藥學的知識與技術也有其立足之地國科會分析化學小組

研討會就提供了這麼一個交流與合作的園地結合彼此的力量共同思考更遠大的未來 建議

首先先謝謝國科會化學推動中心的支持國科會分析化學小組的努力及國立中醫藥

研究所的配合使此次會議圓滿完成由於報名踴躍就一個一百多人參與的會議來說

此次補助的經費似乎稍嫌不足扣除演講者的講費及與會者的午餐其餘所剩無幾故將

來補助款若能依參與人數的多寡而稍做調整相信主辦機構能夠為與會者提供更好的服務

- 32 -

訪問教授訪問報告表

姓名 Prof Jean-Franccedilois Carpentier

訪問日期民國 94 年 2 月 20 日 至 民國 94 年 2 月 24 日

接待機構 清華大學化學系 接待人 季昀 教授 聯絡電話 (03) 5712956

訪問重要成果 (如篇幅不足另以A4白紙填寫)

1訪問經過

Prof Jean-Franccedilois Carpentier 於 20 日晚間抵達台灣經過一個晚上的短暫

休息星期一早晨赴台大化學系訪問中午與學生共進午餐交換研究心得並瞭解

該校研究狀況星期二赴淡江化學系訪問中午與晚間分別與學生與教員共進午晚

餐交換研究心得並瞭解該校研究近況並談及如何共同申請中法國際合作專案

星期三赴清大化學系訪問中午與該系教員共進午餐交換研究心得並瞭解該校研

究狀況晚間則回返回台北參觀一年一度的台北國際燈會星期四上午安排私人的

自由活動並赴台北市旅遊景點參訪晚間搭乘飛機離台

2演講行程及概要

2 月 21 日台灣大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 22 日淡江大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 23 日清華大學化學系Towards Green Plastics via Stereoselective Polymerization

of rac-Lactide with Discrete Group 3 Metal Complexes

3 重要收獲及心得

瞭解國際學術界在過渡金屬錯合物鑭系稀土錯合物的合成化學與催化反應方面的前

瞻進展狀態

並為建立合適管道執行未來國際學術合作促進國與國間的人員互動人員的相互

了解而努力

4其他意見

- 33 -

訪問教授訪問報告表

- 34 -

訪問教授訪問報告表

- 35 -

訪問教授訪問報告表

姓名Luis A Marky 教授 University of Nebraska Medical Center

訪問日期民國九十三年十二月四日至十一日

接待機構中央研究院 接待人甘魯生 聯絡電話02 2789 8550

訪問重要成果

訪問經過

Luis Marky 教授早年追隨熱力學

大師 Ken Breslauer之後為紐約

市大學及內布拉斯加州立大學

網羅是一位核酸熱力學專家

其論文發表在 J Am Chem Soc

Biochemistry Nucleic Acids Res

Methods Enzymol等知名國際專業雜誌上Marky 教授早在博士後研究員時即與本

人相識研究領域也相近一直有和他合作共同研究核酸的性質及結構的想法

他也對我們台灣非常友善此次有幸得到化學中心的資助得以邀請 Marky 來台

一方面洽談合作事誼一方面和國內學者及學生會談增進交流宣導有關核酸方

面的研究Marky 教授在短短一週內訪問了四所學術機構也以四個不同的題材

發表了四場學術演講次數相當密集把這次訪問推到最高峰幸好 Marky 教授

並不以為苦所以是一次成功的訪問 演講行程及概要

十二月四日星期六抵台

十二月五日星期日轉赴花蓮

十二月六日星期一

訪問國立東華大學

以ldquoDNA Hairpin Loops Folding Ligand Binding and Hydrationrdquo為題發表專題演講

- 36 -

十二月七日星期二

訪問中央研究院

以rdquoThermodynamics of DNA Triplexes Contributions of Base-Triplet Stacks and Base

Methylationrdquo為題發表專題演講

十二月八日星期三

訪問國立中正大學

以ldquoThermodynamics of DNA Triplexes Containing C-glycosides Basesrdquo為題發表專題

演講

十二月九日星期四

參觀故宮博物院

十二月十日星期五

訪問國立清華大學

以ldquoSherlock Holmesrsquos Adventures with Nucleic Acidsrdquo 為題發表專題演講

十二月十一日離台

重要收獲及心得

Marky 教授在信中稱他對四所訪問的學術機構中央研究院國立東華大學國

立中正大學及國立清華大學的教學及研究都有深刻的印也意外的面試了一位東

華生科所的學生準備收為研究生這是一件互惠之事Marky 教授也非常希望

能和我們合作共同研究

其他意見

(請見 Luis Marky 教授信)

- 37 -

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 20 -

國立嘉義大學應用化學系 九十三學年度第二學期演講公告

(學期中演講增刪或更新請以即期演講公告為準)

日期 時間 演 講 者 講 題

223

(三) pm1520

~1700 陳勁初主任 (葡萄王生技中心主任)

生技保健食品開發

302

(三) pm1520

~1700 陳泊余教授(高雄醫學大學 醫藥暨應用化學系)

The application of ionic liquids in electrochemistry

316

(三) Pm1520

~1700 陳焜銘教授 (師範大學化學系)

The development of camphor derived chiral ligands for asymmetric reactions

323

(三) pm1520

~1700 何佳安教授 (暨南大學化學系)

Liposome in Diagnostic Microbiology

330

(三) pm1330

~1510 夏克山博士 (國家衛生研究院)

Discovery of New Stem Cell Mobilizers Antagonizing CXCR4 Chemokine Receptor

406

(三) pm1520

~1700 陳幹男教授 (淡江大學化學系)

Hybridization of Aqueous-based Polymers

413

(三) pm1520

~1700 汪炳鈞教授 (清華大學化學系)

Asymmetric Synthesis Using Camphor Derived Chiral Ligands

504

(三) pm1520

~1700 林震煌教授 (師範大學化學系)

毛細管電泳線上濃縮技術的發展

與應用

427

(三) pm1520

~1700 劉英麟教授 (中原大學化工系)

應用二氧化矽奈米粒子於高分子

材料改質

註演講地點在工程館四樓視聽教室

- 21 -

中 央 研 究 院 化 學 研 究 所 INSTITUTE OF CHEMISTRY ACADEMIA SINICA

學 術 演 講 (Chemistry Colloquium)

0106 (四) 1530

唐本忠教授 香港科技大學 (推薦人 陶雨台教授) Light-Emitting Polyenes Polyynes and Polyarylenes

0110 (一) 1530

Prof Rudy Marcus California Institute of Technology USA (推薦人 許昭萍教授) Puzzling phenomena in the fluorescence intermittency of single quantum dots theory and experiment (地點 周大紓講堂)

0114 (五) 1530

Prof Samson A Jenekhe University of Washington USA (推薦人 陶雨台教授) Organic Electronics and Optoelectronics

0125 (二) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Design and Synthesis of Tumor-Targeting Boron Molecules

0126 (三) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Chemistry of Bis-π-allylpalladium for Organic Synthesis

0127 (四) 1530

Prof Teruo Shinmyozu Kyushu University Japan (推薦人 周大新教授) Synthesis Structure and Photochemical Properties of [3n]Cyclophanes (n = 2-6)

0129 (六) 功能性有機化合物的分子建構 小型研討會

0202 (三) 1530

曾志明教授 國立中興大學 (推薦人 陳錦地教授) Addressing grand energy challenges through advanced materials

0203 (四) 1030

江明錫博士 國立清華大學 (Interview Talk) f-ion speciation and d-f interaction toward electrocatalysis LnAn-polyoxotungstates

0218 (五) 1030

Dr Tiow-Gan Ong University of Ottawa Canada The stories of rationally designing a Guanidinate transition metal Complexes and constructing a Stable Carbene with a Novel Topology and Electronic Framework Their Role in Catalysis

0221 (一) 1030

Dr Chi-Wing Tsang University of British Columbia Canada (Interview Talk) Carborane - A New Weakly Coordinating Anion Utilizing P=C bonds in Polymer Chemistry

0225 (五) 1030

Dr Chen-Hsiung Hung National Changhua University of Education Metal Assisted Small Molecule Activations Using Porphyrin Analogues or NNO-Scorpionates as Ligands

0226 (六) 周大紓先生紀念研討會 (Ta-shue Chou Memorial Lecture) (地點 周大紓講堂)

0301 (二) 1030

Dr Wen-Yuan Hsieh Purdue University Synthesis Characterization of monomeric and dimeric Mn complexes

0302 (三) 1400

Prof Peter Chen Swiss Federal Institute of Technology Zurich Switzerland (推薦人 陸天堯教授) Organometallic Chemistry by ESI-MSMS High Valent Oxo Complexes Diolates Metallaoxetanes and Carbenes

0302 (三) 1530

Dr Sarah Thomas Royal Society of Chemistry Publishing Why Where and How (地點 周大紓講堂)

- 22 -

0303 (四) 1430

Prof Pierre Vogel Swiss Federal Institute of Technology Lausanne Switzerland (推薦人 陸天堯教授) Carbohydrate Mimetics Synthesis of C-Disaccharides Imino-C-disaccharides and Analogs and their Biological Properties

0303 (四) 1530

Prof Jay S Siegel University of Zurich Switzerland (推薦人 陸天堯教授) Cheap Fast and Out of Control Rationale for Combinatorial Chemistry

0304-05

第一屆台灣-瑞士雙邊有機合成研討會 Joint Swiss-Taiwanese Meeting ldquoFrontiers in Organic Synthesisrdquo (地點 國立台灣大學 原分所浦大邦演講廳)

0309 (三) Symposium

ldquoPhysical Studies on Photo- or Electron-responsive Materials 0310(四)

1400 陳月枝教授 國立交通大學 (推薦人 陳玉如教授) Title to be annouced

0324(四) 1530

王惠鈞所長 中研院生化所 (推薦人 陳長謙所長) Title to be announced

0407(四) 1530

Prof Richard Taylor University of York (推薦人 陸天堯教授) Title to be announced

0421(四) 1530

Prof Biswanath Das Indian Institute of Chemical Technology India (推薦人 畢爾曼教授) Investigation on Some Fundamental Reactions

地點A108 會議室 Revised on February 21 2005

- 23 -

國立彰化師範大學化學系九十三學年下學期專題演講一覽表

時間 演講者 服務單位 演講題目 地點 推薦人

411

pm 200 林建村

中央研究

院化學所 Electro-optic Materials from OLEDs to photovoltaics

藝薈館

系演講廳 李漢文

418

pm200 梁博煌

中央研究

院生化所 Anti-infectious drug discovery藝薈館

系演講廳 李衍彰

425

pm200 傅傳博

暨南大學

應化系 Development of Magnetic Separation for Analytical Chemistry

藝薈館

系演講廳 林秋薰

59

pm 200 蔡易州

清華大學

化學系 The power of Meal-Metal Multiple bonds

藝薈館

系演講廳 黃瑞賢

516

pm200 孫仲銘

東華大學

化學系 微波抗腫瘤藥物分子庫合成藝薈館

系演講廳 李衍彰

523

pm200 許昭萍

中央研究

院化學所 Electronic Coupling for electron transfer methods and applications

藝薈館

系演講廳 胡景瀚

66

pm200 林敬堯暨南大學

應化系

Tailoring ethynyl substituted porphyrins for photonic electrochemical and nano-related researches

藝薈館

系演講廳 洪政雄

613

pm200 莊琇惠

高雄大學

應化系 Chemical Vapor Deposition of Hafnium Oxonitride as High-k Materials

藝薈館

系演講廳 黃瑞賢

- 24 -

- 25 -

- 26 -

- 27 -

- 28 -

- 29 -

- 30 -

國科會化學推動中心補助學術研討會成果報告表

會議名稱94 年第一次國科會分析化學小組研討會

舉辦日期民國 94 年 2 月 19 日 至 民國 94 年 2 月 19 日

主辦機構國立中醫藥研究所國科會分析化學小組主持人蔡東湖傅明仁

舉辦地點國立中醫藥研究所 聯絡電話 02-2820 1999 ext 8091

出席人數工業界 人學術界(含學生) 110 人 共 110 人

會議重要成果 (如篇幅不足另以A4白紙填寫)

會議經過及議程

0900~0930 報到 0930~0940 主席國科會分析化學小組召集人傅明仁教授 0940~0950 致歡迎詞吳天賞教授 國立中醫藥研究所所長 0950~1040 專題演講食品中 acrylamide 之分析 周薰修博士 藥物食品檢驗局 主持人傅明仁教授 (東吳大學化學系) 1040~1110 茶點時間 1110~1200 專題演講哺乳動物體內 D-乳酸的分析 李仁愛助理教授 台北醫學大學藥學系

主持人蔡東湖教授 (國立中醫藥研究所) 1200~1320 中餐休息 1320~1410 專題演講利用分子轉印技術在人體肝臟細胞中重金屬中毒的飛 行式二次離子質譜儀(TOF-SIMS)離子影像分析研究 麥富德助理教授 中山醫學大學應用化學系

主持人李茂榮教授 (中興大學化學系) 1410~1500 專題演講具奈米結構之鋰電池電極材料研製與電化學析 劉茂煌助理教授 輔大化學系 主持人何國榮教授 (台灣大學化學系) 1500~1530 茶點時間 1530~1630 綜合座談跨領域幹細胞整合計畫

陳甫州教授 台中榮民總醫院 1630- 會議結束

- 31 -

重要收穫及心得

藉由此次會議接觸到來自各方的學術研究同仁也許各自專長的領域不盡相同但

對於分析化學的研究與應用有著彼此相同的努力目標相互的討論及觀摩不僅僅是成果

的分享更進一步帶來跨領域的合作靈感與契機

近來科學的發展已不再只靠一個人或一間實驗室單打獨鬥不同領域的結合發展漸

成顯學資訊與技術的交流也許會產生比預期更巨大的突破以生物科學這一個大的範

疇為例若缺少化學物理與數學的助益恐怕連傳統遺傳學理論都無法發展以古視今

現今各個次領域都擁有其各自的專長就跨領域幹細胞整合計畫而言只包含分生生理

的人才絕對不足分析化學甚至藥學的知識與技術也有其立足之地國科會分析化學小組

研討會就提供了這麼一個交流與合作的園地結合彼此的力量共同思考更遠大的未來 建議

首先先謝謝國科會化學推動中心的支持國科會分析化學小組的努力及國立中醫藥

研究所的配合使此次會議圓滿完成由於報名踴躍就一個一百多人參與的會議來說

此次補助的經費似乎稍嫌不足扣除演講者的講費及與會者的午餐其餘所剩無幾故將

來補助款若能依參與人數的多寡而稍做調整相信主辦機構能夠為與會者提供更好的服務

- 32 -

訪問教授訪問報告表

姓名 Prof Jean-Franccedilois Carpentier

訪問日期民國 94 年 2 月 20 日 至 民國 94 年 2 月 24 日

接待機構 清華大學化學系 接待人 季昀 教授 聯絡電話 (03) 5712956

訪問重要成果 (如篇幅不足另以A4白紙填寫)

1訪問經過

Prof Jean-Franccedilois Carpentier 於 20 日晚間抵達台灣經過一個晚上的短暫

休息星期一早晨赴台大化學系訪問中午與學生共進午餐交換研究心得並瞭解

該校研究狀況星期二赴淡江化學系訪問中午與晚間分別與學生與教員共進午晚

餐交換研究心得並瞭解該校研究近況並談及如何共同申請中法國際合作專案

星期三赴清大化學系訪問中午與該系教員共進午餐交換研究心得並瞭解該校研

究狀況晚間則回返回台北參觀一年一度的台北國際燈會星期四上午安排私人的

自由活動並赴台北市旅遊景點參訪晚間搭乘飛機離台

2演講行程及概要

2 月 21 日台灣大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 22 日淡江大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 23 日清華大學化學系Towards Green Plastics via Stereoselective Polymerization

of rac-Lactide with Discrete Group 3 Metal Complexes

3 重要收獲及心得

瞭解國際學術界在過渡金屬錯合物鑭系稀土錯合物的合成化學與催化反應方面的前

瞻進展狀態

並為建立合適管道執行未來國際學術合作促進國與國間的人員互動人員的相互

了解而努力

4其他意見

- 33 -

訪問教授訪問報告表

- 34 -

訪問教授訪問報告表

- 35 -

訪問教授訪問報告表

姓名Luis A Marky 教授 University of Nebraska Medical Center

訪問日期民國九十三年十二月四日至十一日

接待機構中央研究院 接待人甘魯生 聯絡電話02 2789 8550

訪問重要成果

訪問經過

Luis Marky 教授早年追隨熱力學

大師 Ken Breslauer之後為紐約

市大學及內布拉斯加州立大學

網羅是一位核酸熱力學專家

其論文發表在 J Am Chem Soc

Biochemistry Nucleic Acids Res

Methods Enzymol等知名國際專業雜誌上Marky 教授早在博士後研究員時即與本

人相識研究領域也相近一直有和他合作共同研究核酸的性質及結構的想法

他也對我們台灣非常友善此次有幸得到化學中心的資助得以邀請 Marky 來台

一方面洽談合作事誼一方面和國內學者及學生會談增進交流宣導有關核酸方

面的研究Marky 教授在短短一週內訪問了四所學術機構也以四個不同的題材

發表了四場學術演講次數相當密集把這次訪問推到最高峰幸好 Marky 教授

並不以為苦所以是一次成功的訪問 演講行程及概要

十二月四日星期六抵台

十二月五日星期日轉赴花蓮

十二月六日星期一

訪問國立東華大學

以ldquoDNA Hairpin Loops Folding Ligand Binding and Hydrationrdquo為題發表專題演講

- 36 -

十二月七日星期二

訪問中央研究院

以rdquoThermodynamics of DNA Triplexes Contributions of Base-Triplet Stacks and Base

Methylationrdquo為題發表專題演講

十二月八日星期三

訪問國立中正大學

以ldquoThermodynamics of DNA Triplexes Containing C-glycosides Basesrdquo為題發表專題

演講

十二月九日星期四

參觀故宮博物院

十二月十日星期五

訪問國立清華大學

以ldquoSherlock Holmesrsquos Adventures with Nucleic Acidsrdquo 為題發表專題演講

十二月十一日離台

重要收獲及心得

Marky 教授在信中稱他對四所訪問的學術機構中央研究院國立東華大學國

立中正大學及國立清華大學的教學及研究都有深刻的印也意外的面試了一位東

華生科所的學生準備收為研究生這是一件互惠之事Marky 教授也非常希望

能和我們合作共同研究

其他意見

(請見 Luis Marky 教授信)

- 37 -

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 21 -

中 央 研 究 院 化 學 研 究 所 INSTITUTE OF CHEMISTRY ACADEMIA SINICA

學 術 演 講 (Chemistry Colloquium)

0106 (四) 1530

唐本忠教授 香港科技大學 (推薦人 陶雨台教授) Light-Emitting Polyenes Polyynes and Polyarylenes

0110 (一) 1530

Prof Rudy Marcus California Institute of Technology USA (推薦人 許昭萍教授) Puzzling phenomena in the fluorescence intermittency of single quantum dots theory and experiment (地點 周大紓講堂)

0114 (五) 1530

Prof Samson A Jenekhe University of Washington USA (推薦人 陶雨台教授) Organic Electronics and Optoelectronics

0125 (二) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Design and Synthesis of Tumor-Targeting Boron Molecules

0126 (三) 1530

Prof Hiroyuki Nakamura Gakushuin University Japan (推薦人 陳長謙及畢爾曼教授) Chemistry of Bis-π-allylpalladium for Organic Synthesis

0127 (四) 1530

Prof Teruo Shinmyozu Kyushu University Japan (推薦人 周大新教授) Synthesis Structure and Photochemical Properties of [3n]Cyclophanes (n = 2-6)

0129 (六) 功能性有機化合物的分子建構 小型研討會

0202 (三) 1530

曾志明教授 國立中興大學 (推薦人 陳錦地教授) Addressing grand energy challenges through advanced materials

0203 (四) 1030

江明錫博士 國立清華大學 (Interview Talk) f-ion speciation and d-f interaction toward electrocatalysis LnAn-polyoxotungstates

0218 (五) 1030

Dr Tiow-Gan Ong University of Ottawa Canada The stories of rationally designing a Guanidinate transition metal Complexes and constructing a Stable Carbene with a Novel Topology and Electronic Framework Their Role in Catalysis

0221 (一) 1030

Dr Chi-Wing Tsang University of British Columbia Canada (Interview Talk) Carborane - A New Weakly Coordinating Anion Utilizing P=C bonds in Polymer Chemistry

0225 (五) 1030

Dr Chen-Hsiung Hung National Changhua University of Education Metal Assisted Small Molecule Activations Using Porphyrin Analogues or NNO-Scorpionates as Ligands

0226 (六) 周大紓先生紀念研討會 (Ta-shue Chou Memorial Lecture) (地點 周大紓講堂)

0301 (二) 1030

Dr Wen-Yuan Hsieh Purdue University Synthesis Characterization of monomeric and dimeric Mn complexes

0302 (三) 1400

Prof Peter Chen Swiss Federal Institute of Technology Zurich Switzerland (推薦人 陸天堯教授) Organometallic Chemistry by ESI-MSMS High Valent Oxo Complexes Diolates Metallaoxetanes and Carbenes

0302 (三) 1530

Dr Sarah Thomas Royal Society of Chemistry Publishing Why Where and How (地點 周大紓講堂)

- 22 -

0303 (四) 1430

Prof Pierre Vogel Swiss Federal Institute of Technology Lausanne Switzerland (推薦人 陸天堯教授) Carbohydrate Mimetics Synthesis of C-Disaccharides Imino-C-disaccharides and Analogs and their Biological Properties

0303 (四) 1530

Prof Jay S Siegel University of Zurich Switzerland (推薦人 陸天堯教授) Cheap Fast and Out of Control Rationale for Combinatorial Chemistry

0304-05

第一屆台灣-瑞士雙邊有機合成研討會 Joint Swiss-Taiwanese Meeting ldquoFrontiers in Organic Synthesisrdquo (地點 國立台灣大學 原分所浦大邦演講廳)

0309 (三) Symposium

ldquoPhysical Studies on Photo- or Electron-responsive Materials 0310(四)

1400 陳月枝教授 國立交通大學 (推薦人 陳玉如教授) Title to be annouced

0324(四) 1530

王惠鈞所長 中研院生化所 (推薦人 陳長謙所長) Title to be announced

0407(四) 1530

Prof Richard Taylor University of York (推薦人 陸天堯教授) Title to be announced

0421(四) 1530

Prof Biswanath Das Indian Institute of Chemical Technology India (推薦人 畢爾曼教授) Investigation on Some Fundamental Reactions

地點A108 會議室 Revised on February 21 2005

- 23 -

國立彰化師範大學化學系九十三學年下學期專題演講一覽表

時間 演講者 服務單位 演講題目 地點 推薦人

411

pm 200 林建村

中央研究

院化學所 Electro-optic Materials from OLEDs to photovoltaics

藝薈館

系演講廳 李漢文

418

pm200 梁博煌

中央研究

院生化所 Anti-infectious drug discovery藝薈館

系演講廳 李衍彰

425

pm200 傅傳博

暨南大學

應化系 Development of Magnetic Separation for Analytical Chemistry

藝薈館

系演講廳 林秋薰

59

pm 200 蔡易州

清華大學

化學系 The power of Meal-Metal Multiple bonds

藝薈館

系演講廳 黃瑞賢

516

pm200 孫仲銘

東華大學

化學系 微波抗腫瘤藥物分子庫合成藝薈館

系演講廳 李衍彰

523

pm200 許昭萍

中央研究

院化學所 Electronic Coupling for electron transfer methods and applications

藝薈館

系演講廳 胡景瀚

66

pm200 林敬堯暨南大學

應化系

Tailoring ethynyl substituted porphyrins for photonic electrochemical and nano-related researches

藝薈館

系演講廳 洪政雄

613

pm200 莊琇惠

高雄大學

應化系 Chemical Vapor Deposition of Hafnium Oxonitride as High-k Materials

藝薈館

系演講廳 黃瑞賢

- 24 -

- 25 -

- 26 -

- 27 -

- 28 -

- 29 -

- 30 -

國科會化學推動中心補助學術研討會成果報告表

會議名稱94 年第一次國科會分析化學小組研討會

舉辦日期民國 94 年 2 月 19 日 至 民國 94 年 2 月 19 日

主辦機構國立中醫藥研究所國科會分析化學小組主持人蔡東湖傅明仁

舉辦地點國立中醫藥研究所 聯絡電話 02-2820 1999 ext 8091

出席人數工業界 人學術界(含學生) 110 人 共 110 人

會議重要成果 (如篇幅不足另以A4白紙填寫)

會議經過及議程

0900~0930 報到 0930~0940 主席國科會分析化學小組召集人傅明仁教授 0940~0950 致歡迎詞吳天賞教授 國立中醫藥研究所所長 0950~1040 專題演講食品中 acrylamide 之分析 周薰修博士 藥物食品檢驗局 主持人傅明仁教授 (東吳大學化學系) 1040~1110 茶點時間 1110~1200 專題演講哺乳動物體內 D-乳酸的分析 李仁愛助理教授 台北醫學大學藥學系

主持人蔡東湖教授 (國立中醫藥研究所) 1200~1320 中餐休息 1320~1410 專題演講利用分子轉印技術在人體肝臟細胞中重金屬中毒的飛 行式二次離子質譜儀(TOF-SIMS)離子影像分析研究 麥富德助理教授 中山醫學大學應用化學系

主持人李茂榮教授 (中興大學化學系) 1410~1500 專題演講具奈米結構之鋰電池電極材料研製與電化學析 劉茂煌助理教授 輔大化學系 主持人何國榮教授 (台灣大學化學系) 1500~1530 茶點時間 1530~1630 綜合座談跨領域幹細胞整合計畫

陳甫州教授 台中榮民總醫院 1630- 會議結束

- 31 -

重要收穫及心得

藉由此次會議接觸到來自各方的學術研究同仁也許各自專長的領域不盡相同但

對於分析化學的研究與應用有著彼此相同的努力目標相互的討論及觀摩不僅僅是成果

的分享更進一步帶來跨領域的合作靈感與契機

近來科學的發展已不再只靠一個人或一間實驗室單打獨鬥不同領域的結合發展漸

成顯學資訊與技術的交流也許會產生比預期更巨大的突破以生物科學這一個大的範

疇為例若缺少化學物理與數學的助益恐怕連傳統遺傳學理論都無法發展以古視今

現今各個次領域都擁有其各自的專長就跨領域幹細胞整合計畫而言只包含分生生理

的人才絕對不足分析化學甚至藥學的知識與技術也有其立足之地國科會分析化學小組

研討會就提供了這麼一個交流與合作的園地結合彼此的力量共同思考更遠大的未來 建議

首先先謝謝國科會化學推動中心的支持國科會分析化學小組的努力及國立中醫藥

研究所的配合使此次會議圓滿完成由於報名踴躍就一個一百多人參與的會議來說

此次補助的經費似乎稍嫌不足扣除演講者的講費及與會者的午餐其餘所剩無幾故將

來補助款若能依參與人數的多寡而稍做調整相信主辦機構能夠為與會者提供更好的服務

- 32 -

訪問教授訪問報告表

姓名 Prof Jean-Franccedilois Carpentier

訪問日期民國 94 年 2 月 20 日 至 民國 94 年 2 月 24 日

接待機構 清華大學化學系 接待人 季昀 教授 聯絡電話 (03) 5712956

訪問重要成果 (如篇幅不足另以A4白紙填寫)

1訪問經過

Prof Jean-Franccedilois Carpentier 於 20 日晚間抵達台灣經過一個晚上的短暫

休息星期一早晨赴台大化學系訪問中午與學生共進午餐交換研究心得並瞭解

該校研究狀況星期二赴淡江化學系訪問中午與晚間分別與學生與教員共進午晚

餐交換研究心得並瞭解該校研究近況並談及如何共同申請中法國際合作專案

星期三赴清大化學系訪問中午與該系教員共進午餐交換研究心得並瞭解該校研

究狀況晚間則回返回台北參觀一年一度的台北國際燈會星期四上午安排私人的

自由活動並赴台北市旅遊景點參訪晚間搭乘飛機離台

2演講行程及概要

2 月 21 日台灣大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 22 日淡江大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 23 日清華大學化學系Towards Green Plastics via Stereoselective Polymerization

of rac-Lactide with Discrete Group 3 Metal Complexes

3 重要收獲及心得

瞭解國際學術界在過渡金屬錯合物鑭系稀土錯合物的合成化學與催化反應方面的前

瞻進展狀態

並為建立合適管道執行未來國際學術合作促進國與國間的人員互動人員的相互

了解而努力

4其他意見

- 33 -

訪問教授訪問報告表

- 34 -

訪問教授訪問報告表

- 35 -

訪問教授訪問報告表

姓名Luis A Marky 教授 University of Nebraska Medical Center

訪問日期民國九十三年十二月四日至十一日

接待機構中央研究院 接待人甘魯生 聯絡電話02 2789 8550

訪問重要成果

訪問經過

Luis Marky 教授早年追隨熱力學

大師 Ken Breslauer之後為紐約

市大學及內布拉斯加州立大學

網羅是一位核酸熱力學專家

其論文發表在 J Am Chem Soc

Biochemistry Nucleic Acids Res

Methods Enzymol等知名國際專業雜誌上Marky 教授早在博士後研究員時即與本

人相識研究領域也相近一直有和他合作共同研究核酸的性質及結構的想法

他也對我們台灣非常友善此次有幸得到化學中心的資助得以邀請 Marky 來台

一方面洽談合作事誼一方面和國內學者及學生會談增進交流宣導有關核酸方

面的研究Marky 教授在短短一週內訪問了四所學術機構也以四個不同的題材

發表了四場學術演講次數相當密集把這次訪問推到最高峰幸好 Marky 教授

並不以為苦所以是一次成功的訪問 演講行程及概要

十二月四日星期六抵台

十二月五日星期日轉赴花蓮

十二月六日星期一

訪問國立東華大學

以ldquoDNA Hairpin Loops Folding Ligand Binding and Hydrationrdquo為題發表專題演講

- 36 -

十二月七日星期二

訪問中央研究院

以rdquoThermodynamics of DNA Triplexes Contributions of Base-Triplet Stacks and Base

Methylationrdquo為題發表專題演講

十二月八日星期三

訪問國立中正大學

以ldquoThermodynamics of DNA Triplexes Containing C-glycosides Basesrdquo為題發表專題

演講

十二月九日星期四

參觀故宮博物院

十二月十日星期五

訪問國立清華大學

以ldquoSherlock Holmesrsquos Adventures with Nucleic Acidsrdquo 為題發表專題演講

十二月十一日離台

重要收獲及心得

Marky 教授在信中稱他對四所訪問的學術機構中央研究院國立東華大學國

立中正大學及國立清華大學的教學及研究都有深刻的印也意外的面試了一位東

華生科所的學生準備收為研究生這是一件互惠之事Marky 教授也非常希望

能和我們合作共同研究

其他意見

(請見 Luis Marky 教授信)

- 37 -

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 22 -

0303 (四) 1430

Prof Pierre Vogel Swiss Federal Institute of Technology Lausanne Switzerland (推薦人 陸天堯教授) Carbohydrate Mimetics Synthesis of C-Disaccharides Imino-C-disaccharides and Analogs and their Biological Properties

0303 (四) 1530

Prof Jay S Siegel University of Zurich Switzerland (推薦人 陸天堯教授) Cheap Fast and Out of Control Rationale for Combinatorial Chemistry

0304-05

第一屆台灣-瑞士雙邊有機合成研討會 Joint Swiss-Taiwanese Meeting ldquoFrontiers in Organic Synthesisrdquo (地點 國立台灣大學 原分所浦大邦演講廳)

0309 (三) Symposium

ldquoPhysical Studies on Photo- or Electron-responsive Materials 0310(四)

1400 陳月枝教授 國立交通大學 (推薦人 陳玉如教授) Title to be annouced

0324(四) 1530

王惠鈞所長 中研院生化所 (推薦人 陳長謙所長) Title to be announced

0407(四) 1530

Prof Richard Taylor University of York (推薦人 陸天堯教授) Title to be announced

0421(四) 1530

Prof Biswanath Das Indian Institute of Chemical Technology India (推薦人 畢爾曼教授) Investigation on Some Fundamental Reactions

地點A108 會議室 Revised on February 21 2005

- 23 -

國立彰化師範大學化學系九十三學年下學期專題演講一覽表

時間 演講者 服務單位 演講題目 地點 推薦人

411

pm 200 林建村

中央研究

院化學所 Electro-optic Materials from OLEDs to photovoltaics

藝薈館

系演講廳 李漢文

418

pm200 梁博煌

中央研究

院生化所 Anti-infectious drug discovery藝薈館

系演講廳 李衍彰

425

pm200 傅傳博

暨南大學

應化系 Development of Magnetic Separation for Analytical Chemistry

藝薈館

系演講廳 林秋薰

59

pm 200 蔡易州

清華大學

化學系 The power of Meal-Metal Multiple bonds

藝薈館

系演講廳 黃瑞賢

516

pm200 孫仲銘

東華大學

化學系 微波抗腫瘤藥物分子庫合成藝薈館

系演講廳 李衍彰

523

pm200 許昭萍

中央研究

院化學所 Electronic Coupling for electron transfer methods and applications

藝薈館

系演講廳 胡景瀚

66

pm200 林敬堯暨南大學

應化系

Tailoring ethynyl substituted porphyrins for photonic electrochemical and nano-related researches

藝薈館

系演講廳 洪政雄

613

pm200 莊琇惠

高雄大學

應化系 Chemical Vapor Deposition of Hafnium Oxonitride as High-k Materials

藝薈館

系演講廳 黃瑞賢

- 24 -

- 25 -

- 26 -

- 27 -

- 28 -

- 29 -

- 30 -

國科會化學推動中心補助學術研討會成果報告表

會議名稱94 年第一次國科會分析化學小組研討會

舉辦日期民國 94 年 2 月 19 日 至 民國 94 年 2 月 19 日

主辦機構國立中醫藥研究所國科會分析化學小組主持人蔡東湖傅明仁

舉辦地點國立中醫藥研究所 聯絡電話 02-2820 1999 ext 8091

出席人數工業界 人學術界(含學生) 110 人 共 110 人

會議重要成果 (如篇幅不足另以A4白紙填寫)

會議經過及議程

0900~0930 報到 0930~0940 主席國科會分析化學小組召集人傅明仁教授 0940~0950 致歡迎詞吳天賞教授 國立中醫藥研究所所長 0950~1040 專題演講食品中 acrylamide 之分析 周薰修博士 藥物食品檢驗局 主持人傅明仁教授 (東吳大學化學系) 1040~1110 茶點時間 1110~1200 專題演講哺乳動物體內 D-乳酸的分析 李仁愛助理教授 台北醫學大學藥學系

主持人蔡東湖教授 (國立中醫藥研究所) 1200~1320 中餐休息 1320~1410 專題演講利用分子轉印技術在人體肝臟細胞中重金屬中毒的飛 行式二次離子質譜儀(TOF-SIMS)離子影像分析研究 麥富德助理教授 中山醫學大學應用化學系

主持人李茂榮教授 (中興大學化學系) 1410~1500 專題演講具奈米結構之鋰電池電極材料研製與電化學析 劉茂煌助理教授 輔大化學系 主持人何國榮教授 (台灣大學化學系) 1500~1530 茶點時間 1530~1630 綜合座談跨領域幹細胞整合計畫

陳甫州教授 台中榮民總醫院 1630- 會議結束

- 31 -

重要收穫及心得

藉由此次會議接觸到來自各方的學術研究同仁也許各自專長的領域不盡相同但

對於分析化學的研究與應用有著彼此相同的努力目標相互的討論及觀摩不僅僅是成果

的分享更進一步帶來跨領域的合作靈感與契機

近來科學的發展已不再只靠一個人或一間實驗室單打獨鬥不同領域的結合發展漸

成顯學資訊與技術的交流也許會產生比預期更巨大的突破以生物科學這一個大的範

疇為例若缺少化學物理與數學的助益恐怕連傳統遺傳學理論都無法發展以古視今

現今各個次領域都擁有其各自的專長就跨領域幹細胞整合計畫而言只包含分生生理

的人才絕對不足分析化學甚至藥學的知識與技術也有其立足之地國科會分析化學小組

研討會就提供了這麼一個交流與合作的園地結合彼此的力量共同思考更遠大的未來 建議

首先先謝謝國科會化學推動中心的支持國科會分析化學小組的努力及國立中醫藥

研究所的配合使此次會議圓滿完成由於報名踴躍就一個一百多人參與的會議來說

此次補助的經費似乎稍嫌不足扣除演講者的講費及與會者的午餐其餘所剩無幾故將

來補助款若能依參與人數的多寡而稍做調整相信主辦機構能夠為與會者提供更好的服務

- 32 -

訪問教授訪問報告表

姓名 Prof Jean-Franccedilois Carpentier

訪問日期民國 94 年 2 月 20 日 至 民國 94 年 2 月 24 日

接待機構 清華大學化學系 接待人 季昀 教授 聯絡電話 (03) 5712956

訪問重要成果 (如篇幅不足另以A4白紙填寫)

1訪問經過

Prof Jean-Franccedilois Carpentier 於 20 日晚間抵達台灣經過一個晚上的短暫

休息星期一早晨赴台大化學系訪問中午與學生共進午餐交換研究心得並瞭解

該校研究狀況星期二赴淡江化學系訪問中午與晚間分別與學生與教員共進午晚

餐交換研究心得並瞭解該校研究近況並談及如何共同申請中法國際合作專案

星期三赴清大化學系訪問中午與該系教員共進午餐交換研究心得並瞭解該校研

究狀況晚間則回返回台北參觀一年一度的台北國際燈會星期四上午安排私人的

自由活動並赴台北市旅遊景點參訪晚間搭乘飛機離台

2演講行程及概要

2 月 21 日台灣大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 22 日淡江大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 23 日清華大學化學系Towards Green Plastics via Stereoselective Polymerization

of rac-Lactide with Discrete Group 3 Metal Complexes

3 重要收獲及心得

瞭解國際學術界在過渡金屬錯合物鑭系稀土錯合物的合成化學與催化反應方面的前

瞻進展狀態

並為建立合適管道執行未來國際學術合作促進國與國間的人員互動人員的相互

了解而努力

4其他意見

- 33 -

訪問教授訪問報告表

- 34 -

訪問教授訪問報告表

- 35 -

訪問教授訪問報告表

姓名Luis A Marky 教授 University of Nebraska Medical Center

訪問日期民國九十三年十二月四日至十一日

接待機構中央研究院 接待人甘魯生 聯絡電話02 2789 8550

訪問重要成果

訪問經過

Luis Marky 教授早年追隨熱力學

大師 Ken Breslauer之後為紐約

市大學及內布拉斯加州立大學

網羅是一位核酸熱力學專家

其論文發表在 J Am Chem Soc

Biochemistry Nucleic Acids Res

Methods Enzymol等知名國際專業雜誌上Marky 教授早在博士後研究員時即與本

人相識研究領域也相近一直有和他合作共同研究核酸的性質及結構的想法

他也對我們台灣非常友善此次有幸得到化學中心的資助得以邀請 Marky 來台

一方面洽談合作事誼一方面和國內學者及學生會談增進交流宣導有關核酸方

面的研究Marky 教授在短短一週內訪問了四所學術機構也以四個不同的題材

發表了四場學術演講次數相當密集把這次訪問推到最高峰幸好 Marky 教授

並不以為苦所以是一次成功的訪問 演講行程及概要

十二月四日星期六抵台

十二月五日星期日轉赴花蓮

十二月六日星期一

訪問國立東華大學

以ldquoDNA Hairpin Loops Folding Ligand Binding and Hydrationrdquo為題發表專題演講

- 36 -

十二月七日星期二

訪問中央研究院

以rdquoThermodynamics of DNA Triplexes Contributions of Base-Triplet Stacks and Base

Methylationrdquo為題發表專題演講

十二月八日星期三

訪問國立中正大學

以ldquoThermodynamics of DNA Triplexes Containing C-glycosides Basesrdquo為題發表專題

演講

十二月九日星期四

參觀故宮博物院

十二月十日星期五

訪問國立清華大學

以ldquoSherlock Holmesrsquos Adventures with Nucleic Acidsrdquo 為題發表專題演講

十二月十一日離台

重要收獲及心得

Marky 教授在信中稱他對四所訪問的學術機構中央研究院國立東華大學國

立中正大學及國立清華大學的教學及研究都有深刻的印也意外的面試了一位東

華生科所的學生準備收為研究生這是一件互惠之事Marky 教授也非常希望

能和我們合作共同研究

其他意見

(請見 Luis Marky 教授信)

- 37 -

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 23 -

國立彰化師範大學化學系九十三學年下學期專題演講一覽表

時間 演講者 服務單位 演講題目 地點 推薦人

411

pm 200 林建村

中央研究

院化學所 Electro-optic Materials from OLEDs to photovoltaics

藝薈館

系演講廳 李漢文

418

pm200 梁博煌

中央研究

院生化所 Anti-infectious drug discovery藝薈館

系演講廳 李衍彰

425

pm200 傅傳博

暨南大學

應化系 Development of Magnetic Separation for Analytical Chemistry

藝薈館

系演講廳 林秋薰

59

pm 200 蔡易州

清華大學

化學系 The power of Meal-Metal Multiple bonds

藝薈館

系演講廳 黃瑞賢

516

pm200 孫仲銘

東華大學

化學系 微波抗腫瘤藥物分子庫合成藝薈館

系演講廳 李衍彰

523

pm200 許昭萍

中央研究

院化學所 Electronic Coupling for electron transfer methods and applications

藝薈館

系演講廳 胡景瀚

66

pm200 林敬堯暨南大學

應化系

Tailoring ethynyl substituted porphyrins for photonic electrochemical and nano-related researches

藝薈館

系演講廳 洪政雄

613

pm200 莊琇惠

高雄大學

應化系 Chemical Vapor Deposition of Hafnium Oxonitride as High-k Materials

藝薈館

系演講廳 黃瑞賢

- 24 -

- 25 -

- 26 -

- 27 -

- 28 -

- 29 -

- 30 -

國科會化學推動中心補助學術研討會成果報告表

會議名稱94 年第一次國科會分析化學小組研討會

舉辦日期民國 94 年 2 月 19 日 至 民國 94 年 2 月 19 日

主辦機構國立中醫藥研究所國科會分析化學小組主持人蔡東湖傅明仁

舉辦地點國立中醫藥研究所 聯絡電話 02-2820 1999 ext 8091

出席人數工業界 人學術界(含學生) 110 人 共 110 人

會議重要成果 (如篇幅不足另以A4白紙填寫)

會議經過及議程

0900~0930 報到 0930~0940 主席國科會分析化學小組召集人傅明仁教授 0940~0950 致歡迎詞吳天賞教授 國立中醫藥研究所所長 0950~1040 專題演講食品中 acrylamide 之分析 周薰修博士 藥物食品檢驗局 主持人傅明仁教授 (東吳大學化學系) 1040~1110 茶點時間 1110~1200 專題演講哺乳動物體內 D-乳酸的分析 李仁愛助理教授 台北醫學大學藥學系

主持人蔡東湖教授 (國立中醫藥研究所) 1200~1320 中餐休息 1320~1410 專題演講利用分子轉印技術在人體肝臟細胞中重金屬中毒的飛 行式二次離子質譜儀(TOF-SIMS)離子影像分析研究 麥富德助理教授 中山醫學大學應用化學系

主持人李茂榮教授 (中興大學化學系) 1410~1500 專題演講具奈米結構之鋰電池電極材料研製與電化學析 劉茂煌助理教授 輔大化學系 主持人何國榮教授 (台灣大學化學系) 1500~1530 茶點時間 1530~1630 綜合座談跨領域幹細胞整合計畫

陳甫州教授 台中榮民總醫院 1630- 會議結束

- 31 -

重要收穫及心得

藉由此次會議接觸到來自各方的學術研究同仁也許各自專長的領域不盡相同但

對於分析化學的研究與應用有著彼此相同的努力目標相互的討論及觀摩不僅僅是成果

的分享更進一步帶來跨領域的合作靈感與契機

近來科學的發展已不再只靠一個人或一間實驗室單打獨鬥不同領域的結合發展漸

成顯學資訊與技術的交流也許會產生比預期更巨大的突破以生物科學這一個大的範

疇為例若缺少化學物理與數學的助益恐怕連傳統遺傳學理論都無法發展以古視今

現今各個次領域都擁有其各自的專長就跨領域幹細胞整合計畫而言只包含分生生理

的人才絕對不足分析化學甚至藥學的知識與技術也有其立足之地國科會分析化學小組

研討會就提供了這麼一個交流與合作的園地結合彼此的力量共同思考更遠大的未來 建議

首先先謝謝國科會化學推動中心的支持國科會分析化學小組的努力及國立中醫藥

研究所的配合使此次會議圓滿完成由於報名踴躍就一個一百多人參與的會議來說

此次補助的經費似乎稍嫌不足扣除演講者的講費及與會者的午餐其餘所剩無幾故將

來補助款若能依參與人數的多寡而稍做調整相信主辦機構能夠為與會者提供更好的服務

- 32 -

訪問教授訪問報告表

姓名 Prof Jean-Franccedilois Carpentier

訪問日期民國 94 年 2 月 20 日 至 民國 94 年 2 月 24 日

接待機構 清華大學化學系 接待人 季昀 教授 聯絡電話 (03) 5712956

訪問重要成果 (如篇幅不足另以A4白紙填寫)

1訪問經過

Prof Jean-Franccedilois Carpentier 於 20 日晚間抵達台灣經過一個晚上的短暫

休息星期一早晨赴台大化學系訪問中午與學生共進午餐交換研究心得並瞭解

該校研究狀況星期二赴淡江化學系訪問中午與晚間分別與學生與教員共進午晚

餐交換研究心得並瞭解該校研究近況並談及如何共同申請中法國際合作專案

星期三赴清大化學系訪問中午與該系教員共進午餐交換研究心得並瞭解該校研

究狀況晚間則回返回台北參觀一年一度的台北國際燈會星期四上午安排私人的

自由活動並赴台北市旅遊景點參訪晚間搭乘飛機離台

2演講行程及概要

2 月 21 日台灣大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 22 日淡江大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 23 日清華大學化學系Towards Green Plastics via Stereoselective Polymerization

of rac-Lactide with Discrete Group 3 Metal Complexes

3 重要收獲及心得

瞭解國際學術界在過渡金屬錯合物鑭系稀土錯合物的合成化學與催化反應方面的前

瞻進展狀態

並為建立合適管道執行未來國際學術合作促進國與國間的人員互動人員的相互

了解而努力

4其他意見

- 33 -

訪問教授訪問報告表

- 34 -

訪問教授訪問報告表

- 35 -

訪問教授訪問報告表

姓名Luis A Marky 教授 University of Nebraska Medical Center

訪問日期民國九十三年十二月四日至十一日

接待機構中央研究院 接待人甘魯生 聯絡電話02 2789 8550

訪問重要成果

訪問經過

Luis Marky 教授早年追隨熱力學

大師 Ken Breslauer之後為紐約

市大學及內布拉斯加州立大學

網羅是一位核酸熱力學專家

其論文發表在 J Am Chem Soc

Biochemistry Nucleic Acids Res

Methods Enzymol等知名國際專業雜誌上Marky 教授早在博士後研究員時即與本

人相識研究領域也相近一直有和他合作共同研究核酸的性質及結構的想法

他也對我們台灣非常友善此次有幸得到化學中心的資助得以邀請 Marky 來台

一方面洽談合作事誼一方面和國內學者及學生會談增進交流宣導有關核酸方

面的研究Marky 教授在短短一週內訪問了四所學術機構也以四個不同的題材

發表了四場學術演講次數相當密集把這次訪問推到最高峰幸好 Marky 教授

並不以為苦所以是一次成功的訪問 演講行程及概要

十二月四日星期六抵台

十二月五日星期日轉赴花蓮

十二月六日星期一

訪問國立東華大學

以ldquoDNA Hairpin Loops Folding Ligand Binding and Hydrationrdquo為題發表專題演講

- 36 -

十二月七日星期二

訪問中央研究院

以rdquoThermodynamics of DNA Triplexes Contributions of Base-Triplet Stacks and Base

Methylationrdquo為題發表專題演講

十二月八日星期三

訪問國立中正大學

以ldquoThermodynamics of DNA Triplexes Containing C-glycosides Basesrdquo為題發表專題

演講

十二月九日星期四

參觀故宮博物院

十二月十日星期五

訪問國立清華大學

以ldquoSherlock Holmesrsquos Adventures with Nucleic Acidsrdquo 為題發表專題演講

十二月十一日離台

重要收獲及心得

Marky 教授在信中稱他對四所訪問的學術機構中央研究院國立東華大學國

立中正大學及國立清華大學的教學及研究都有深刻的印也意外的面試了一位東

華生科所的學生準備收為研究生這是一件互惠之事Marky 教授也非常希望

能和我們合作共同研究

其他意見

(請見 Luis Marky 教授信)

- 37 -

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 24 -

- 25 -

- 26 -

- 27 -

- 28 -

- 29 -

- 30 -

國科會化學推動中心補助學術研討會成果報告表

會議名稱94 年第一次國科會分析化學小組研討會

舉辦日期民國 94 年 2 月 19 日 至 民國 94 年 2 月 19 日

主辦機構國立中醫藥研究所國科會分析化學小組主持人蔡東湖傅明仁

舉辦地點國立中醫藥研究所 聯絡電話 02-2820 1999 ext 8091

出席人數工業界 人學術界(含學生) 110 人 共 110 人

會議重要成果 (如篇幅不足另以A4白紙填寫)

會議經過及議程

0900~0930 報到 0930~0940 主席國科會分析化學小組召集人傅明仁教授 0940~0950 致歡迎詞吳天賞教授 國立中醫藥研究所所長 0950~1040 專題演講食品中 acrylamide 之分析 周薰修博士 藥物食品檢驗局 主持人傅明仁教授 (東吳大學化學系) 1040~1110 茶點時間 1110~1200 專題演講哺乳動物體內 D-乳酸的分析 李仁愛助理教授 台北醫學大學藥學系

主持人蔡東湖教授 (國立中醫藥研究所) 1200~1320 中餐休息 1320~1410 專題演講利用分子轉印技術在人體肝臟細胞中重金屬中毒的飛 行式二次離子質譜儀(TOF-SIMS)離子影像分析研究 麥富德助理教授 中山醫學大學應用化學系

主持人李茂榮教授 (中興大學化學系) 1410~1500 專題演講具奈米結構之鋰電池電極材料研製與電化學析 劉茂煌助理教授 輔大化學系 主持人何國榮教授 (台灣大學化學系) 1500~1530 茶點時間 1530~1630 綜合座談跨領域幹細胞整合計畫

陳甫州教授 台中榮民總醫院 1630- 會議結束

- 31 -

重要收穫及心得

藉由此次會議接觸到來自各方的學術研究同仁也許各自專長的領域不盡相同但

對於分析化學的研究與應用有著彼此相同的努力目標相互的討論及觀摩不僅僅是成果

的分享更進一步帶來跨領域的合作靈感與契機

近來科學的發展已不再只靠一個人或一間實驗室單打獨鬥不同領域的結合發展漸

成顯學資訊與技術的交流也許會產生比預期更巨大的突破以生物科學這一個大的範

疇為例若缺少化學物理與數學的助益恐怕連傳統遺傳學理論都無法發展以古視今

現今各個次領域都擁有其各自的專長就跨領域幹細胞整合計畫而言只包含分生生理

的人才絕對不足分析化學甚至藥學的知識與技術也有其立足之地國科會分析化學小組

研討會就提供了這麼一個交流與合作的園地結合彼此的力量共同思考更遠大的未來 建議

首先先謝謝國科會化學推動中心的支持國科會分析化學小組的努力及國立中醫藥

研究所的配合使此次會議圓滿完成由於報名踴躍就一個一百多人參與的會議來說

此次補助的經費似乎稍嫌不足扣除演講者的講費及與會者的午餐其餘所剩無幾故將

來補助款若能依參與人數的多寡而稍做調整相信主辦機構能夠為與會者提供更好的服務

- 32 -

訪問教授訪問報告表

姓名 Prof Jean-Franccedilois Carpentier

訪問日期民國 94 年 2 月 20 日 至 民國 94 年 2 月 24 日

接待機構 清華大學化學系 接待人 季昀 教授 聯絡電話 (03) 5712956

訪問重要成果 (如篇幅不足另以A4白紙填寫)

1訪問經過

Prof Jean-Franccedilois Carpentier 於 20 日晚間抵達台灣經過一個晚上的短暫

休息星期一早晨赴台大化學系訪問中午與學生共進午餐交換研究心得並瞭解

該校研究狀況星期二赴淡江化學系訪問中午與晚間分別與學生與教員共進午晚

餐交換研究心得並瞭解該校研究近況並談及如何共同申請中法國際合作專案

星期三赴清大化學系訪問中午與該系教員共進午餐交換研究心得並瞭解該校研

究狀況晚間則回返回台北參觀一年一度的台北國際燈會星期四上午安排私人的

自由活動並赴台北市旅遊景點參訪晚間搭乘飛機離台

2演講行程及概要

2 月 21 日台灣大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 22 日淡江大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 23 日清華大學化學系Towards Green Plastics via Stereoselective Polymerization

of rac-Lactide with Discrete Group 3 Metal Complexes

3 重要收獲及心得

瞭解國際學術界在過渡金屬錯合物鑭系稀土錯合物的合成化學與催化反應方面的前

瞻進展狀態

並為建立合適管道執行未來國際學術合作促進國與國間的人員互動人員的相互

了解而努力

4其他意見

- 33 -

訪問教授訪問報告表

- 34 -

訪問教授訪問報告表

- 35 -

訪問教授訪問報告表

姓名Luis A Marky 教授 University of Nebraska Medical Center

訪問日期民國九十三年十二月四日至十一日

接待機構中央研究院 接待人甘魯生 聯絡電話02 2789 8550

訪問重要成果

訪問經過

Luis Marky 教授早年追隨熱力學

大師 Ken Breslauer之後為紐約

市大學及內布拉斯加州立大學

網羅是一位核酸熱力學專家

其論文發表在 J Am Chem Soc

Biochemistry Nucleic Acids Res

Methods Enzymol等知名國際專業雜誌上Marky 教授早在博士後研究員時即與本

人相識研究領域也相近一直有和他合作共同研究核酸的性質及結構的想法

他也對我們台灣非常友善此次有幸得到化學中心的資助得以邀請 Marky 來台

一方面洽談合作事誼一方面和國內學者及學生會談增進交流宣導有關核酸方

面的研究Marky 教授在短短一週內訪問了四所學術機構也以四個不同的題材

發表了四場學術演講次數相當密集把這次訪問推到最高峰幸好 Marky 教授

並不以為苦所以是一次成功的訪問 演講行程及概要

十二月四日星期六抵台

十二月五日星期日轉赴花蓮

十二月六日星期一

訪問國立東華大學

以ldquoDNA Hairpin Loops Folding Ligand Binding and Hydrationrdquo為題發表專題演講

- 36 -

十二月七日星期二

訪問中央研究院

以rdquoThermodynamics of DNA Triplexes Contributions of Base-Triplet Stacks and Base

Methylationrdquo為題發表專題演講

十二月八日星期三

訪問國立中正大學

以ldquoThermodynamics of DNA Triplexes Containing C-glycosides Basesrdquo為題發表專題

演講

十二月九日星期四

參觀故宮博物院

十二月十日星期五

訪問國立清華大學

以ldquoSherlock Holmesrsquos Adventures with Nucleic Acidsrdquo 為題發表專題演講

十二月十一日離台

重要收獲及心得

Marky 教授在信中稱他對四所訪問的學術機構中央研究院國立東華大學國

立中正大學及國立清華大學的教學及研究都有深刻的印也意外的面試了一位東

華生科所的學生準備收為研究生這是一件互惠之事Marky 教授也非常希望

能和我們合作共同研究

其他意見

(請見 Luis Marky 教授信)

- 37 -

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 25 -

- 26 -

- 27 -

- 28 -

- 29 -

- 30 -

國科會化學推動中心補助學術研討會成果報告表

會議名稱94 年第一次國科會分析化學小組研討會

舉辦日期民國 94 年 2 月 19 日 至 民國 94 年 2 月 19 日

主辦機構國立中醫藥研究所國科會分析化學小組主持人蔡東湖傅明仁

舉辦地點國立中醫藥研究所 聯絡電話 02-2820 1999 ext 8091

出席人數工業界 人學術界(含學生) 110 人 共 110 人

會議重要成果 (如篇幅不足另以A4白紙填寫)

會議經過及議程

0900~0930 報到 0930~0940 主席國科會分析化學小組召集人傅明仁教授 0940~0950 致歡迎詞吳天賞教授 國立中醫藥研究所所長 0950~1040 專題演講食品中 acrylamide 之分析 周薰修博士 藥物食品檢驗局 主持人傅明仁教授 (東吳大學化學系) 1040~1110 茶點時間 1110~1200 專題演講哺乳動物體內 D-乳酸的分析 李仁愛助理教授 台北醫學大學藥學系

主持人蔡東湖教授 (國立中醫藥研究所) 1200~1320 中餐休息 1320~1410 專題演講利用分子轉印技術在人體肝臟細胞中重金屬中毒的飛 行式二次離子質譜儀(TOF-SIMS)離子影像分析研究 麥富德助理教授 中山醫學大學應用化學系

主持人李茂榮教授 (中興大學化學系) 1410~1500 專題演講具奈米結構之鋰電池電極材料研製與電化學析 劉茂煌助理教授 輔大化學系 主持人何國榮教授 (台灣大學化學系) 1500~1530 茶點時間 1530~1630 綜合座談跨領域幹細胞整合計畫

陳甫州教授 台中榮民總醫院 1630- 會議結束

- 31 -

重要收穫及心得

藉由此次會議接觸到來自各方的學術研究同仁也許各自專長的領域不盡相同但

對於分析化學的研究與應用有著彼此相同的努力目標相互的討論及觀摩不僅僅是成果

的分享更進一步帶來跨領域的合作靈感與契機

近來科學的發展已不再只靠一個人或一間實驗室單打獨鬥不同領域的結合發展漸

成顯學資訊與技術的交流也許會產生比預期更巨大的突破以生物科學這一個大的範

疇為例若缺少化學物理與數學的助益恐怕連傳統遺傳學理論都無法發展以古視今

現今各個次領域都擁有其各自的專長就跨領域幹細胞整合計畫而言只包含分生生理

的人才絕對不足分析化學甚至藥學的知識與技術也有其立足之地國科會分析化學小組

研討會就提供了這麼一個交流與合作的園地結合彼此的力量共同思考更遠大的未來 建議

首先先謝謝國科會化學推動中心的支持國科會分析化學小組的努力及國立中醫藥

研究所的配合使此次會議圓滿完成由於報名踴躍就一個一百多人參與的會議來說

此次補助的經費似乎稍嫌不足扣除演講者的講費及與會者的午餐其餘所剩無幾故將

來補助款若能依參與人數的多寡而稍做調整相信主辦機構能夠為與會者提供更好的服務

- 32 -

訪問教授訪問報告表

姓名 Prof Jean-Franccedilois Carpentier

訪問日期民國 94 年 2 月 20 日 至 民國 94 年 2 月 24 日

接待機構 清華大學化學系 接待人 季昀 教授 聯絡電話 (03) 5712956

訪問重要成果 (如篇幅不足另以A4白紙填寫)

1訪問經過

Prof Jean-Franccedilois Carpentier 於 20 日晚間抵達台灣經過一個晚上的短暫

休息星期一早晨赴台大化學系訪問中午與學生共進午餐交換研究心得並瞭解

該校研究狀況星期二赴淡江化學系訪問中午與晚間分別與學生與教員共進午晚

餐交換研究心得並瞭解該校研究近況並談及如何共同申請中法國際合作專案

星期三赴清大化學系訪問中午與該系教員共進午餐交換研究心得並瞭解該校研

究狀況晚間則回返回台北參觀一年一度的台北國際燈會星期四上午安排私人的

自由活動並赴台北市旅遊景點參訪晚間搭乘飛機離台

2演講行程及概要

2 月 21 日台灣大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 22 日淡江大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 23 日清華大學化學系Towards Green Plastics via Stereoselective Polymerization

of rac-Lactide with Discrete Group 3 Metal Complexes

3 重要收獲及心得

瞭解國際學術界在過渡金屬錯合物鑭系稀土錯合物的合成化學與催化反應方面的前

瞻進展狀態

並為建立合適管道執行未來國際學術合作促進國與國間的人員互動人員的相互

了解而努力

4其他意見

- 33 -

訪問教授訪問報告表

- 34 -

訪問教授訪問報告表

- 35 -

訪問教授訪問報告表

姓名Luis A Marky 教授 University of Nebraska Medical Center

訪問日期民國九十三年十二月四日至十一日

接待機構中央研究院 接待人甘魯生 聯絡電話02 2789 8550

訪問重要成果

訪問經過

Luis Marky 教授早年追隨熱力學

大師 Ken Breslauer之後為紐約

市大學及內布拉斯加州立大學

網羅是一位核酸熱力學專家

其論文發表在 J Am Chem Soc

Biochemistry Nucleic Acids Res

Methods Enzymol等知名國際專業雜誌上Marky 教授早在博士後研究員時即與本

人相識研究領域也相近一直有和他合作共同研究核酸的性質及結構的想法

他也對我們台灣非常友善此次有幸得到化學中心的資助得以邀請 Marky 來台

一方面洽談合作事誼一方面和國內學者及學生會談增進交流宣導有關核酸方

面的研究Marky 教授在短短一週內訪問了四所學術機構也以四個不同的題材

發表了四場學術演講次數相當密集把這次訪問推到最高峰幸好 Marky 教授

並不以為苦所以是一次成功的訪問 演講行程及概要

十二月四日星期六抵台

十二月五日星期日轉赴花蓮

十二月六日星期一

訪問國立東華大學

以ldquoDNA Hairpin Loops Folding Ligand Binding and Hydrationrdquo為題發表專題演講

- 36 -

十二月七日星期二

訪問中央研究院

以rdquoThermodynamics of DNA Triplexes Contributions of Base-Triplet Stacks and Base

Methylationrdquo為題發表專題演講

十二月八日星期三

訪問國立中正大學

以ldquoThermodynamics of DNA Triplexes Containing C-glycosides Basesrdquo為題發表專題

演講

十二月九日星期四

參觀故宮博物院

十二月十日星期五

訪問國立清華大學

以ldquoSherlock Holmesrsquos Adventures with Nucleic Acidsrdquo 為題發表專題演講

十二月十一日離台

重要收獲及心得

Marky 教授在信中稱他對四所訪問的學術機構中央研究院國立東華大學國

立中正大學及國立清華大學的教學及研究都有深刻的印也意外的面試了一位東

華生科所的學生準備收為研究生這是一件互惠之事Marky 教授也非常希望

能和我們合作共同研究

其他意見

(請見 Luis Marky 教授信)

- 37 -

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 26 -

- 27 -

- 28 -

- 29 -

- 30 -

國科會化學推動中心補助學術研討會成果報告表

會議名稱94 年第一次國科會分析化學小組研討會

舉辦日期民國 94 年 2 月 19 日 至 民國 94 年 2 月 19 日

主辦機構國立中醫藥研究所國科會分析化學小組主持人蔡東湖傅明仁

舉辦地點國立中醫藥研究所 聯絡電話 02-2820 1999 ext 8091

出席人數工業界 人學術界(含學生) 110 人 共 110 人

會議重要成果 (如篇幅不足另以A4白紙填寫)

會議經過及議程

0900~0930 報到 0930~0940 主席國科會分析化學小組召集人傅明仁教授 0940~0950 致歡迎詞吳天賞教授 國立中醫藥研究所所長 0950~1040 專題演講食品中 acrylamide 之分析 周薰修博士 藥物食品檢驗局 主持人傅明仁教授 (東吳大學化學系) 1040~1110 茶點時間 1110~1200 專題演講哺乳動物體內 D-乳酸的分析 李仁愛助理教授 台北醫學大學藥學系

主持人蔡東湖教授 (國立中醫藥研究所) 1200~1320 中餐休息 1320~1410 專題演講利用分子轉印技術在人體肝臟細胞中重金屬中毒的飛 行式二次離子質譜儀(TOF-SIMS)離子影像分析研究 麥富德助理教授 中山醫學大學應用化學系

主持人李茂榮教授 (中興大學化學系) 1410~1500 專題演講具奈米結構之鋰電池電極材料研製與電化學析 劉茂煌助理教授 輔大化學系 主持人何國榮教授 (台灣大學化學系) 1500~1530 茶點時間 1530~1630 綜合座談跨領域幹細胞整合計畫

陳甫州教授 台中榮民總醫院 1630- 會議結束

- 31 -

重要收穫及心得

藉由此次會議接觸到來自各方的學術研究同仁也許各自專長的領域不盡相同但

對於分析化學的研究與應用有著彼此相同的努力目標相互的討論及觀摩不僅僅是成果

的分享更進一步帶來跨領域的合作靈感與契機

近來科學的發展已不再只靠一個人或一間實驗室單打獨鬥不同領域的結合發展漸

成顯學資訊與技術的交流也許會產生比預期更巨大的突破以生物科學這一個大的範

疇為例若缺少化學物理與數學的助益恐怕連傳統遺傳學理論都無法發展以古視今

現今各個次領域都擁有其各自的專長就跨領域幹細胞整合計畫而言只包含分生生理

的人才絕對不足分析化學甚至藥學的知識與技術也有其立足之地國科會分析化學小組

研討會就提供了這麼一個交流與合作的園地結合彼此的力量共同思考更遠大的未來 建議

首先先謝謝國科會化學推動中心的支持國科會分析化學小組的努力及國立中醫藥

研究所的配合使此次會議圓滿完成由於報名踴躍就一個一百多人參與的會議來說

此次補助的經費似乎稍嫌不足扣除演講者的講費及與會者的午餐其餘所剩無幾故將

來補助款若能依參與人數的多寡而稍做調整相信主辦機構能夠為與會者提供更好的服務

- 32 -

訪問教授訪問報告表

姓名 Prof Jean-Franccedilois Carpentier

訪問日期民國 94 年 2 月 20 日 至 民國 94 年 2 月 24 日

接待機構 清華大學化學系 接待人 季昀 教授 聯絡電話 (03) 5712956

訪問重要成果 (如篇幅不足另以A4白紙填寫)

1訪問經過

Prof Jean-Franccedilois Carpentier 於 20 日晚間抵達台灣經過一個晚上的短暫

休息星期一早晨赴台大化學系訪問中午與學生共進午餐交換研究心得並瞭解

該校研究狀況星期二赴淡江化學系訪問中午與晚間分別與學生與教員共進午晚

餐交換研究心得並瞭解該校研究近況並談及如何共同申請中法國際合作專案

星期三赴清大化學系訪問中午與該系教員共進午餐交換研究心得並瞭解該校研

究狀況晚間則回返回台北參觀一年一度的台北國際燈會星期四上午安排私人的

自由活動並赴台北市旅遊景點參訪晚間搭乘飛機離台

2演講行程及概要

2 月 21 日台灣大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 22 日淡江大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 23 日清華大學化學系Towards Green Plastics via Stereoselective Polymerization

of rac-Lactide with Discrete Group 3 Metal Complexes

3 重要收獲及心得

瞭解國際學術界在過渡金屬錯合物鑭系稀土錯合物的合成化學與催化反應方面的前

瞻進展狀態

並為建立合適管道執行未來國際學術合作促進國與國間的人員互動人員的相互

了解而努力

4其他意見

- 33 -

訪問教授訪問報告表

- 34 -

訪問教授訪問報告表

- 35 -

訪問教授訪問報告表

姓名Luis A Marky 教授 University of Nebraska Medical Center

訪問日期民國九十三年十二月四日至十一日

接待機構中央研究院 接待人甘魯生 聯絡電話02 2789 8550

訪問重要成果

訪問經過

Luis Marky 教授早年追隨熱力學

大師 Ken Breslauer之後為紐約

市大學及內布拉斯加州立大學

網羅是一位核酸熱力學專家

其論文發表在 J Am Chem Soc

Biochemistry Nucleic Acids Res

Methods Enzymol等知名國際專業雜誌上Marky 教授早在博士後研究員時即與本

人相識研究領域也相近一直有和他合作共同研究核酸的性質及結構的想法

他也對我們台灣非常友善此次有幸得到化學中心的資助得以邀請 Marky 來台

一方面洽談合作事誼一方面和國內學者及學生會談增進交流宣導有關核酸方

面的研究Marky 教授在短短一週內訪問了四所學術機構也以四個不同的題材

發表了四場學術演講次數相當密集把這次訪問推到最高峰幸好 Marky 教授

並不以為苦所以是一次成功的訪問 演講行程及概要

十二月四日星期六抵台

十二月五日星期日轉赴花蓮

十二月六日星期一

訪問國立東華大學

以ldquoDNA Hairpin Loops Folding Ligand Binding and Hydrationrdquo為題發表專題演講

- 36 -

十二月七日星期二

訪問中央研究院

以rdquoThermodynamics of DNA Triplexes Contributions of Base-Triplet Stacks and Base

Methylationrdquo為題發表專題演講

十二月八日星期三

訪問國立中正大學

以ldquoThermodynamics of DNA Triplexes Containing C-glycosides Basesrdquo為題發表專題

演講

十二月九日星期四

參觀故宮博物院

十二月十日星期五

訪問國立清華大學

以ldquoSherlock Holmesrsquos Adventures with Nucleic Acidsrdquo 為題發表專題演講

十二月十一日離台

重要收獲及心得

Marky 教授在信中稱他對四所訪問的學術機構中央研究院國立東華大學國

立中正大學及國立清華大學的教學及研究都有深刻的印也意外的面試了一位東

華生科所的學生準備收為研究生這是一件互惠之事Marky 教授也非常希望

能和我們合作共同研究

其他意見

(請見 Luis Marky 教授信)

- 37 -

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 27 -

- 28 -

- 29 -

- 30 -

國科會化學推動中心補助學術研討會成果報告表

會議名稱94 年第一次國科會分析化學小組研討會

舉辦日期民國 94 年 2 月 19 日 至 民國 94 年 2 月 19 日

主辦機構國立中醫藥研究所國科會分析化學小組主持人蔡東湖傅明仁

舉辦地點國立中醫藥研究所 聯絡電話 02-2820 1999 ext 8091

出席人數工業界 人學術界(含學生) 110 人 共 110 人

會議重要成果 (如篇幅不足另以A4白紙填寫)

會議經過及議程

0900~0930 報到 0930~0940 主席國科會分析化學小組召集人傅明仁教授 0940~0950 致歡迎詞吳天賞教授 國立中醫藥研究所所長 0950~1040 專題演講食品中 acrylamide 之分析 周薰修博士 藥物食品檢驗局 主持人傅明仁教授 (東吳大學化學系) 1040~1110 茶點時間 1110~1200 專題演講哺乳動物體內 D-乳酸的分析 李仁愛助理教授 台北醫學大學藥學系

主持人蔡東湖教授 (國立中醫藥研究所) 1200~1320 中餐休息 1320~1410 專題演講利用分子轉印技術在人體肝臟細胞中重金屬中毒的飛 行式二次離子質譜儀(TOF-SIMS)離子影像分析研究 麥富德助理教授 中山醫學大學應用化學系

主持人李茂榮教授 (中興大學化學系) 1410~1500 專題演講具奈米結構之鋰電池電極材料研製與電化學析 劉茂煌助理教授 輔大化學系 主持人何國榮教授 (台灣大學化學系) 1500~1530 茶點時間 1530~1630 綜合座談跨領域幹細胞整合計畫

陳甫州教授 台中榮民總醫院 1630- 會議結束

- 31 -

重要收穫及心得

藉由此次會議接觸到來自各方的學術研究同仁也許各自專長的領域不盡相同但

對於分析化學的研究與應用有著彼此相同的努力目標相互的討論及觀摩不僅僅是成果

的分享更進一步帶來跨領域的合作靈感與契機

近來科學的發展已不再只靠一個人或一間實驗室單打獨鬥不同領域的結合發展漸

成顯學資訊與技術的交流也許會產生比預期更巨大的突破以生物科學這一個大的範

疇為例若缺少化學物理與數學的助益恐怕連傳統遺傳學理論都無法發展以古視今

現今各個次領域都擁有其各自的專長就跨領域幹細胞整合計畫而言只包含分生生理

的人才絕對不足分析化學甚至藥學的知識與技術也有其立足之地國科會分析化學小組

研討會就提供了這麼一個交流與合作的園地結合彼此的力量共同思考更遠大的未來 建議

首先先謝謝國科會化學推動中心的支持國科會分析化學小組的努力及國立中醫藥

研究所的配合使此次會議圓滿完成由於報名踴躍就一個一百多人參與的會議來說

此次補助的經費似乎稍嫌不足扣除演講者的講費及與會者的午餐其餘所剩無幾故將

來補助款若能依參與人數的多寡而稍做調整相信主辦機構能夠為與會者提供更好的服務

- 32 -

訪問教授訪問報告表

姓名 Prof Jean-Franccedilois Carpentier

訪問日期民國 94 年 2 月 20 日 至 民國 94 年 2 月 24 日

接待機構 清華大學化學系 接待人 季昀 教授 聯絡電話 (03) 5712956

訪問重要成果 (如篇幅不足另以A4白紙填寫)

1訪問經過

Prof Jean-Franccedilois Carpentier 於 20 日晚間抵達台灣經過一個晚上的短暫

休息星期一早晨赴台大化學系訪問中午與學生共進午餐交換研究心得並瞭解

該校研究狀況星期二赴淡江化學系訪問中午與晚間分別與學生與教員共進午晚

餐交換研究心得並瞭解該校研究近況並談及如何共同申請中法國際合作專案

星期三赴清大化學系訪問中午與該系教員共進午餐交換研究心得並瞭解該校研

究狀況晚間則回返回台北參觀一年一度的台北國際燈會星期四上午安排私人的

自由活動並赴台北市旅遊景點參訪晚間搭乘飛機離台

2演講行程及概要

2 月 21 日台灣大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 22 日淡江大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 23 日清華大學化學系Towards Green Plastics via Stereoselective Polymerization

of rac-Lactide with Discrete Group 3 Metal Complexes

3 重要收獲及心得

瞭解國際學術界在過渡金屬錯合物鑭系稀土錯合物的合成化學與催化反應方面的前

瞻進展狀態

並為建立合適管道執行未來國際學術合作促進國與國間的人員互動人員的相互

了解而努力

4其他意見

- 33 -

訪問教授訪問報告表

- 34 -

訪問教授訪問報告表

- 35 -

訪問教授訪問報告表

姓名Luis A Marky 教授 University of Nebraska Medical Center

訪問日期民國九十三年十二月四日至十一日

接待機構中央研究院 接待人甘魯生 聯絡電話02 2789 8550

訪問重要成果

訪問經過

Luis Marky 教授早年追隨熱力學

大師 Ken Breslauer之後為紐約

市大學及內布拉斯加州立大學

網羅是一位核酸熱力學專家

其論文發表在 J Am Chem Soc

Biochemistry Nucleic Acids Res

Methods Enzymol等知名國際專業雜誌上Marky 教授早在博士後研究員時即與本

人相識研究領域也相近一直有和他合作共同研究核酸的性質及結構的想法

他也對我們台灣非常友善此次有幸得到化學中心的資助得以邀請 Marky 來台

一方面洽談合作事誼一方面和國內學者及學生會談增進交流宣導有關核酸方

面的研究Marky 教授在短短一週內訪問了四所學術機構也以四個不同的題材

發表了四場學術演講次數相當密集把這次訪問推到最高峰幸好 Marky 教授

並不以為苦所以是一次成功的訪問 演講行程及概要

十二月四日星期六抵台

十二月五日星期日轉赴花蓮

十二月六日星期一

訪問國立東華大學

以ldquoDNA Hairpin Loops Folding Ligand Binding and Hydrationrdquo為題發表專題演講

- 36 -

十二月七日星期二

訪問中央研究院

以rdquoThermodynamics of DNA Triplexes Contributions of Base-Triplet Stacks and Base

Methylationrdquo為題發表專題演講

十二月八日星期三

訪問國立中正大學

以ldquoThermodynamics of DNA Triplexes Containing C-glycosides Basesrdquo為題發表專題

演講

十二月九日星期四

參觀故宮博物院

十二月十日星期五

訪問國立清華大學

以ldquoSherlock Holmesrsquos Adventures with Nucleic Acidsrdquo 為題發表專題演講

十二月十一日離台

重要收獲及心得

Marky 教授在信中稱他對四所訪問的學術機構中央研究院國立東華大學國

立中正大學及國立清華大學的教學及研究都有深刻的印也意外的面試了一位東

華生科所的學生準備收為研究生這是一件互惠之事Marky 教授也非常希望

能和我們合作共同研究

其他意見

(請見 Luis Marky 教授信)

- 37 -

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 28 -

- 29 -

- 30 -

國科會化學推動中心補助學術研討會成果報告表

會議名稱94 年第一次國科會分析化學小組研討會

舉辦日期民國 94 年 2 月 19 日 至 民國 94 年 2 月 19 日

主辦機構國立中醫藥研究所國科會分析化學小組主持人蔡東湖傅明仁

舉辦地點國立中醫藥研究所 聯絡電話 02-2820 1999 ext 8091

出席人數工業界 人學術界(含學生) 110 人 共 110 人

會議重要成果 (如篇幅不足另以A4白紙填寫)

會議經過及議程

0900~0930 報到 0930~0940 主席國科會分析化學小組召集人傅明仁教授 0940~0950 致歡迎詞吳天賞教授 國立中醫藥研究所所長 0950~1040 專題演講食品中 acrylamide 之分析 周薰修博士 藥物食品檢驗局 主持人傅明仁教授 (東吳大學化學系) 1040~1110 茶點時間 1110~1200 專題演講哺乳動物體內 D-乳酸的分析 李仁愛助理教授 台北醫學大學藥學系

主持人蔡東湖教授 (國立中醫藥研究所) 1200~1320 中餐休息 1320~1410 專題演講利用分子轉印技術在人體肝臟細胞中重金屬中毒的飛 行式二次離子質譜儀(TOF-SIMS)離子影像分析研究 麥富德助理教授 中山醫學大學應用化學系

主持人李茂榮教授 (中興大學化學系) 1410~1500 專題演講具奈米結構之鋰電池電極材料研製與電化學析 劉茂煌助理教授 輔大化學系 主持人何國榮教授 (台灣大學化學系) 1500~1530 茶點時間 1530~1630 綜合座談跨領域幹細胞整合計畫

陳甫州教授 台中榮民總醫院 1630- 會議結束

- 31 -

重要收穫及心得

藉由此次會議接觸到來自各方的學術研究同仁也許各自專長的領域不盡相同但

對於分析化學的研究與應用有著彼此相同的努力目標相互的討論及觀摩不僅僅是成果

的分享更進一步帶來跨領域的合作靈感與契機

近來科學的發展已不再只靠一個人或一間實驗室單打獨鬥不同領域的結合發展漸

成顯學資訊與技術的交流也許會產生比預期更巨大的突破以生物科學這一個大的範

疇為例若缺少化學物理與數學的助益恐怕連傳統遺傳學理論都無法發展以古視今

現今各個次領域都擁有其各自的專長就跨領域幹細胞整合計畫而言只包含分生生理

的人才絕對不足分析化學甚至藥學的知識與技術也有其立足之地國科會分析化學小組

研討會就提供了這麼一個交流與合作的園地結合彼此的力量共同思考更遠大的未來 建議

首先先謝謝國科會化學推動中心的支持國科會分析化學小組的努力及國立中醫藥

研究所的配合使此次會議圓滿完成由於報名踴躍就一個一百多人參與的會議來說

此次補助的經費似乎稍嫌不足扣除演講者的講費及與會者的午餐其餘所剩無幾故將

來補助款若能依參與人數的多寡而稍做調整相信主辦機構能夠為與會者提供更好的服務

- 32 -

訪問教授訪問報告表

姓名 Prof Jean-Franccedilois Carpentier

訪問日期民國 94 年 2 月 20 日 至 民國 94 年 2 月 24 日

接待機構 清華大學化學系 接待人 季昀 教授 聯絡電話 (03) 5712956

訪問重要成果 (如篇幅不足另以A4白紙填寫)

1訪問經過

Prof Jean-Franccedilois Carpentier 於 20 日晚間抵達台灣經過一個晚上的短暫

休息星期一早晨赴台大化學系訪問中午與學生共進午餐交換研究心得並瞭解

該校研究狀況星期二赴淡江化學系訪問中午與晚間分別與學生與教員共進午晚

餐交換研究心得並瞭解該校研究近況並談及如何共同申請中法國際合作專案

星期三赴清大化學系訪問中午與該系教員共進午餐交換研究心得並瞭解該校研

究狀況晚間則回返回台北參觀一年一度的台北國際燈會星期四上午安排私人的

自由活動並赴台北市旅遊景點參訪晚間搭乘飛機離台

2演講行程及概要

2 月 21 日台灣大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 22 日淡江大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 23 日清華大學化學系Towards Green Plastics via Stereoselective Polymerization

of rac-Lactide with Discrete Group 3 Metal Complexes

3 重要收獲及心得

瞭解國際學術界在過渡金屬錯合物鑭系稀土錯合物的合成化學與催化反應方面的前

瞻進展狀態

並為建立合適管道執行未來國際學術合作促進國與國間的人員互動人員的相互

了解而努力

4其他意見

- 33 -

訪問教授訪問報告表

- 34 -

訪問教授訪問報告表

- 35 -

訪問教授訪問報告表

姓名Luis A Marky 教授 University of Nebraska Medical Center

訪問日期民國九十三年十二月四日至十一日

接待機構中央研究院 接待人甘魯生 聯絡電話02 2789 8550

訪問重要成果

訪問經過

Luis Marky 教授早年追隨熱力學

大師 Ken Breslauer之後為紐約

市大學及內布拉斯加州立大學

網羅是一位核酸熱力學專家

其論文發表在 J Am Chem Soc

Biochemistry Nucleic Acids Res

Methods Enzymol等知名國際專業雜誌上Marky 教授早在博士後研究員時即與本

人相識研究領域也相近一直有和他合作共同研究核酸的性質及結構的想法

他也對我們台灣非常友善此次有幸得到化學中心的資助得以邀請 Marky 來台

一方面洽談合作事誼一方面和國內學者及學生會談增進交流宣導有關核酸方

面的研究Marky 教授在短短一週內訪問了四所學術機構也以四個不同的題材

發表了四場學術演講次數相當密集把這次訪問推到最高峰幸好 Marky 教授

並不以為苦所以是一次成功的訪問 演講行程及概要

十二月四日星期六抵台

十二月五日星期日轉赴花蓮

十二月六日星期一

訪問國立東華大學

以ldquoDNA Hairpin Loops Folding Ligand Binding and Hydrationrdquo為題發表專題演講

- 36 -

十二月七日星期二

訪問中央研究院

以rdquoThermodynamics of DNA Triplexes Contributions of Base-Triplet Stacks and Base

Methylationrdquo為題發表專題演講

十二月八日星期三

訪問國立中正大學

以ldquoThermodynamics of DNA Triplexes Containing C-glycosides Basesrdquo為題發表專題

演講

十二月九日星期四

參觀故宮博物院

十二月十日星期五

訪問國立清華大學

以ldquoSherlock Holmesrsquos Adventures with Nucleic Acidsrdquo 為題發表專題演講

十二月十一日離台

重要收獲及心得

Marky 教授在信中稱他對四所訪問的學術機構中央研究院國立東華大學國

立中正大學及國立清華大學的教學及研究都有深刻的印也意外的面試了一位東

華生科所的學生準備收為研究生這是一件互惠之事Marky 教授也非常希望

能和我們合作共同研究

其他意見

(請見 Luis Marky 教授信)

- 37 -

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 29 -

- 30 -

國科會化學推動中心補助學術研討會成果報告表

會議名稱94 年第一次國科會分析化學小組研討會

舉辦日期民國 94 年 2 月 19 日 至 民國 94 年 2 月 19 日

主辦機構國立中醫藥研究所國科會分析化學小組主持人蔡東湖傅明仁

舉辦地點國立中醫藥研究所 聯絡電話 02-2820 1999 ext 8091

出席人數工業界 人學術界(含學生) 110 人 共 110 人

會議重要成果 (如篇幅不足另以A4白紙填寫)

會議經過及議程

0900~0930 報到 0930~0940 主席國科會分析化學小組召集人傅明仁教授 0940~0950 致歡迎詞吳天賞教授 國立中醫藥研究所所長 0950~1040 專題演講食品中 acrylamide 之分析 周薰修博士 藥物食品檢驗局 主持人傅明仁教授 (東吳大學化學系) 1040~1110 茶點時間 1110~1200 專題演講哺乳動物體內 D-乳酸的分析 李仁愛助理教授 台北醫學大學藥學系

主持人蔡東湖教授 (國立中醫藥研究所) 1200~1320 中餐休息 1320~1410 專題演講利用分子轉印技術在人體肝臟細胞中重金屬中毒的飛 行式二次離子質譜儀(TOF-SIMS)離子影像分析研究 麥富德助理教授 中山醫學大學應用化學系

主持人李茂榮教授 (中興大學化學系) 1410~1500 專題演講具奈米結構之鋰電池電極材料研製與電化學析 劉茂煌助理教授 輔大化學系 主持人何國榮教授 (台灣大學化學系) 1500~1530 茶點時間 1530~1630 綜合座談跨領域幹細胞整合計畫

陳甫州教授 台中榮民總醫院 1630- 會議結束

- 31 -

重要收穫及心得

藉由此次會議接觸到來自各方的學術研究同仁也許各自專長的領域不盡相同但

對於分析化學的研究與應用有著彼此相同的努力目標相互的討論及觀摩不僅僅是成果

的分享更進一步帶來跨領域的合作靈感與契機

近來科學的發展已不再只靠一個人或一間實驗室單打獨鬥不同領域的結合發展漸

成顯學資訊與技術的交流也許會產生比預期更巨大的突破以生物科學這一個大的範

疇為例若缺少化學物理與數學的助益恐怕連傳統遺傳學理論都無法發展以古視今

現今各個次領域都擁有其各自的專長就跨領域幹細胞整合計畫而言只包含分生生理

的人才絕對不足分析化學甚至藥學的知識與技術也有其立足之地國科會分析化學小組

研討會就提供了這麼一個交流與合作的園地結合彼此的力量共同思考更遠大的未來 建議

首先先謝謝國科會化學推動中心的支持國科會分析化學小組的努力及國立中醫藥

研究所的配合使此次會議圓滿完成由於報名踴躍就一個一百多人參與的會議來說

此次補助的經費似乎稍嫌不足扣除演講者的講費及與會者的午餐其餘所剩無幾故將

來補助款若能依參與人數的多寡而稍做調整相信主辦機構能夠為與會者提供更好的服務

- 32 -

訪問教授訪問報告表

姓名 Prof Jean-Franccedilois Carpentier

訪問日期民國 94 年 2 月 20 日 至 民國 94 年 2 月 24 日

接待機構 清華大學化學系 接待人 季昀 教授 聯絡電話 (03) 5712956

訪問重要成果 (如篇幅不足另以A4白紙填寫)

1訪問經過

Prof Jean-Franccedilois Carpentier 於 20 日晚間抵達台灣經過一個晚上的短暫

休息星期一早晨赴台大化學系訪問中午與學生共進午餐交換研究心得並瞭解

該校研究狀況星期二赴淡江化學系訪問中午與晚間分別與學生與教員共進午晚

餐交換研究心得並瞭解該校研究近況並談及如何共同申請中法國際合作專案

星期三赴清大化學系訪問中午與該系教員共進午餐交換研究心得並瞭解該校研

究狀況晚間則回返回台北參觀一年一度的台北國際燈會星期四上午安排私人的

自由活動並赴台北市旅遊景點參訪晚間搭乘飛機離台

2演講行程及概要

2 月 21 日台灣大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 22 日淡江大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 23 日清華大學化學系Towards Green Plastics via Stereoselective Polymerization

of rac-Lactide with Discrete Group 3 Metal Complexes

3 重要收獲及心得

瞭解國際學術界在過渡金屬錯合物鑭系稀土錯合物的合成化學與催化反應方面的前

瞻進展狀態

並為建立合適管道執行未來國際學術合作促進國與國間的人員互動人員的相互

了解而努力

4其他意見

- 33 -

訪問教授訪問報告表

- 34 -

訪問教授訪問報告表

- 35 -

訪問教授訪問報告表

姓名Luis A Marky 教授 University of Nebraska Medical Center

訪問日期民國九十三年十二月四日至十一日

接待機構中央研究院 接待人甘魯生 聯絡電話02 2789 8550

訪問重要成果

訪問經過

Luis Marky 教授早年追隨熱力學

大師 Ken Breslauer之後為紐約

市大學及內布拉斯加州立大學

網羅是一位核酸熱力學專家

其論文發表在 J Am Chem Soc

Biochemistry Nucleic Acids Res

Methods Enzymol等知名國際專業雜誌上Marky 教授早在博士後研究員時即與本

人相識研究領域也相近一直有和他合作共同研究核酸的性質及結構的想法

他也對我們台灣非常友善此次有幸得到化學中心的資助得以邀請 Marky 來台

一方面洽談合作事誼一方面和國內學者及學生會談增進交流宣導有關核酸方

面的研究Marky 教授在短短一週內訪問了四所學術機構也以四個不同的題材

發表了四場學術演講次數相當密集把這次訪問推到最高峰幸好 Marky 教授

並不以為苦所以是一次成功的訪問 演講行程及概要

十二月四日星期六抵台

十二月五日星期日轉赴花蓮

十二月六日星期一

訪問國立東華大學

以ldquoDNA Hairpin Loops Folding Ligand Binding and Hydrationrdquo為題發表專題演講

- 36 -

十二月七日星期二

訪問中央研究院

以rdquoThermodynamics of DNA Triplexes Contributions of Base-Triplet Stacks and Base

Methylationrdquo為題發表專題演講

十二月八日星期三

訪問國立中正大學

以ldquoThermodynamics of DNA Triplexes Containing C-glycosides Basesrdquo為題發表專題

演講

十二月九日星期四

參觀故宮博物院

十二月十日星期五

訪問國立清華大學

以ldquoSherlock Holmesrsquos Adventures with Nucleic Acidsrdquo 為題發表專題演講

十二月十一日離台

重要收獲及心得

Marky 教授在信中稱他對四所訪問的學術機構中央研究院國立東華大學國

立中正大學及國立清華大學的教學及研究都有深刻的印也意外的面試了一位東

華生科所的學生準備收為研究生這是一件互惠之事Marky 教授也非常希望

能和我們合作共同研究

其他意見

(請見 Luis Marky 教授信)

- 37 -

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 30 -

國科會化學推動中心補助學術研討會成果報告表

會議名稱94 年第一次國科會分析化學小組研討會

舉辦日期民國 94 年 2 月 19 日 至 民國 94 年 2 月 19 日

主辦機構國立中醫藥研究所國科會分析化學小組主持人蔡東湖傅明仁

舉辦地點國立中醫藥研究所 聯絡電話 02-2820 1999 ext 8091

出席人數工業界 人學術界(含學生) 110 人 共 110 人

會議重要成果 (如篇幅不足另以A4白紙填寫)

會議經過及議程

0900~0930 報到 0930~0940 主席國科會分析化學小組召集人傅明仁教授 0940~0950 致歡迎詞吳天賞教授 國立中醫藥研究所所長 0950~1040 專題演講食品中 acrylamide 之分析 周薰修博士 藥物食品檢驗局 主持人傅明仁教授 (東吳大學化學系) 1040~1110 茶點時間 1110~1200 專題演講哺乳動物體內 D-乳酸的分析 李仁愛助理教授 台北醫學大學藥學系

主持人蔡東湖教授 (國立中醫藥研究所) 1200~1320 中餐休息 1320~1410 專題演講利用分子轉印技術在人體肝臟細胞中重金屬中毒的飛 行式二次離子質譜儀(TOF-SIMS)離子影像分析研究 麥富德助理教授 中山醫學大學應用化學系

主持人李茂榮教授 (中興大學化學系) 1410~1500 專題演講具奈米結構之鋰電池電極材料研製與電化學析 劉茂煌助理教授 輔大化學系 主持人何國榮教授 (台灣大學化學系) 1500~1530 茶點時間 1530~1630 綜合座談跨領域幹細胞整合計畫

陳甫州教授 台中榮民總醫院 1630- 會議結束

- 31 -

重要收穫及心得

藉由此次會議接觸到來自各方的學術研究同仁也許各自專長的領域不盡相同但

對於分析化學的研究與應用有著彼此相同的努力目標相互的討論及觀摩不僅僅是成果

的分享更進一步帶來跨領域的合作靈感與契機

近來科學的發展已不再只靠一個人或一間實驗室單打獨鬥不同領域的結合發展漸

成顯學資訊與技術的交流也許會產生比預期更巨大的突破以生物科學這一個大的範

疇為例若缺少化學物理與數學的助益恐怕連傳統遺傳學理論都無法發展以古視今

現今各個次領域都擁有其各自的專長就跨領域幹細胞整合計畫而言只包含分生生理

的人才絕對不足分析化學甚至藥學的知識與技術也有其立足之地國科會分析化學小組

研討會就提供了這麼一個交流與合作的園地結合彼此的力量共同思考更遠大的未來 建議

首先先謝謝國科會化學推動中心的支持國科會分析化學小組的努力及國立中醫藥

研究所的配合使此次會議圓滿完成由於報名踴躍就一個一百多人參與的會議來說

此次補助的經費似乎稍嫌不足扣除演講者的講費及與會者的午餐其餘所剩無幾故將

來補助款若能依參與人數的多寡而稍做調整相信主辦機構能夠為與會者提供更好的服務

- 32 -

訪問教授訪問報告表

姓名 Prof Jean-Franccedilois Carpentier

訪問日期民國 94 年 2 月 20 日 至 民國 94 年 2 月 24 日

接待機構 清華大學化學系 接待人 季昀 教授 聯絡電話 (03) 5712956

訪問重要成果 (如篇幅不足另以A4白紙填寫)

1訪問經過

Prof Jean-Franccedilois Carpentier 於 20 日晚間抵達台灣經過一個晚上的短暫

休息星期一早晨赴台大化學系訪問中午與學生共進午餐交換研究心得並瞭解

該校研究狀況星期二赴淡江化學系訪問中午與晚間分別與學生與教員共進午晚

餐交換研究心得並瞭解該校研究近況並談及如何共同申請中法國際合作專案

星期三赴清大化學系訪問中午與該系教員共進午餐交換研究心得並瞭解該校研

究狀況晚間則回返回台北參觀一年一度的台北國際燈會星期四上午安排私人的

自由活動並赴台北市旅遊景點參訪晚間搭乘飛機離台

2演講行程及概要

2 月 21 日台灣大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 22 日淡江大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 23 日清華大學化學系Towards Green Plastics via Stereoselective Polymerization

of rac-Lactide with Discrete Group 3 Metal Complexes

3 重要收獲及心得

瞭解國際學術界在過渡金屬錯合物鑭系稀土錯合物的合成化學與催化反應方面的前

瞻進展狀態

並為建立合適管道執行未來國際學術合作促進國與國間的人員互動人員的相互

了解而努力

4其他意見

- 33 -

訪問教授訪問報告表

- 34 -

訪問教授訪問報告表

- 35 -

訪問教授訪問報告表

姓名Luis A Marky 教授 University of Nebraska Medical Center

訪問日期民國九十三年十二月四日至十一日

接待機構中央研究院 接待人甘魯生 聯絡電話02 2789 8550

訪問重要成果

訪問經過

Luis Marky 教授早年追隨熱力學

大師 Ken Breslauer之後為紐約

市大學及內布拉斯加州立大學

網羅是一位核酸熱力學專家

其論文發表在 J Am Chem Soc

Biochemistry Nucleic Acids Res

Methods Enzymol等知名國際專業雜誌上Marky 教授早在博士後研究員時即與本

人相識研究領域也相近一直有和他合作共同研究核酸的性質及結構的想法

他也對我們台灣非常友善此次有幸得到化學中心的資助得以邀請 Marky 來台

一方面洽談合作事誼一方面和國內學者及學生會談增進交流宣導有關核酸方

面的研究Marky 教授在短短一週內訪問了四所學術機構也以四個不同的題材

發表了四場學術演講次數相當密集把這次訪問推到最高峰幸好 Marky 教授

並不以為苦所以是一次成功的訪問 演講行程及概要

十二月四日星期六抵台

十二月五日星期日轉赴花蓮

十二月六日星期一

訪問國立東華大學

以ldquoDNA Hairpin Loops Folding Ligand Binding and Hydrationrdquo為題發表專題演講

- 36 -

十二月七日星期二

訪問中央研究院

以rdquoThermodynamics of DNA Triplexes Contributions of Base-Triplet Stacks and Base

Methylationrdquo為題發表專題演講

十二月八日星期三

訪問國立中正大學

以ldquoThermodynamics of DNA Triplexes Containing C-glycosides Basesrdquo為題發表專題

演講

十二月九日星期四

參觀故宮博物院

十二月十日星期五

訪問國立清華大學

以ldquoSherlock Holmesrsquos Adventures with Nucleic Acidsrdquo 為題發表專題演講

十二月十一日離台

重要收獲及心得

Marky 教授在信中稱他對四所訪問的學術機構中央研究院國立東華大學國

立中正大學及國立清華大學的教學及研究都有深刻的印也意外的面試了一位東

華生科所的學生準備收為研究生這是一件互惠之事Marky 教授也非常希望

能和我們合作共同研究

其他意見

(請見 Luis Marky 教授信)

- 37 -

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 31 -

重要收穫及心得

藉由此次會議接觸到來自各方的學術研究同仁也許各自專長的領域不盡相同但

對於分析化學的研究與應用有著彼此相同的努力目標相互的討論及觀摩不僅僅是成果

的分享更進一步帶來跨領域的合作靈感與契機

近來科學的發展已不再只靠一個人或一間實驗室單打獨鬥不同領域的結合發展漸

成顯學資訊與技術的交流也許會產生比預期更巨大的突破以生物科學這一個大的範

疇為例若缺少化學物理與數學的助益恐怕連傳統遺傳學理論都無法發展以古視今

現今各個次領域都擁有其各自的專長就跨領域幹細胞整合計畫而言只包含分生生理

的人才絕對不足分析化學甚至藥學的知識與技術也有其立足之地國科會分析化學小組

研討會就提供了這麼一個交流與合作的園地結合彼此的力量共同思考更遠大的未來 建議

首先先謝謝國科會化學推動中心的支持國科會分析化學小組的努力及國立中醫藥

研究所的配合使此次會議圓滿完成由於報名踴躍就一個一百多人參與的會議來說

此次補助的經費似乎稍嫌不足扣除演講者的講費及與會者的午餐其餘所剩無幾故將

來補助款若能依參與人數的多寡而稍做調整相信主辦機構能夠為與會者提供更好的服務

- 32 -

訪問教授訪問報告表

姓名 Prof Jean-Franccedilois Carpentier

訪問日期民國 94 年 2 月 20 日 至 民國 94 年 2 月 24 日

接待機構 清華大學化學系 接待人 季昀 教授 聯絡電話 (03) 5712956

訪問重要成果 (如篇幅不足另以A4白紙填寫)

1訪問經過

Prof Jean-Franccedilois Carpentier 於 20 日晚間抵達台灣經過一個晚上的短暫

休息星期一早晨赴台大化學系訪問中午與學生共進午餐交換研究心得並瞭解

該校研究狀況星期二赴淡江化學系訪問中午與晚間分別與學生與教員共進午晚

餐交換研究心得並瞭解該校研究近況並談及如何共同申請中法國際合作專案

星期三赴清大化學系訪問中午與該系教員共進午餐交換研究心得並瞭解該校研

究狀況晚間則回返回台北參觀一年一度的台北國際燈會星期四上午安排私人的

自由活動並赴台北市旅遊景點參訪晚間搭乘飛機離台

2演講行程及概要

2 月 21 日台灣大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 22 日淡江大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 23 日清華大學化學系Towards Green Plastics via Stereoselective Polymerization

of rac-Lactide with Discrete Group 3 Metal Complexes

3 重要收獲及心得

瞭解國際學術界在過渡金屬錯合物鑭系稀土錯合物的合成化學與催化反應方面的前

瞻進展狀態

並為建立合適管道執行未來國際學術合作促進國與國間的人員互動人員的相互

了解而努力

4其他意見

- 33 -

訪問教授訪問報告表

- 34 -

訪問教授訪問報告表

- 35 -

訪問教授訪問報告表

姓名Luis A Marky 教授 University of Nebraska Medical Center

訪問日期民國九十三年十二月四日至十一日

接待機構中央研究院 接待人甘魯生 聯絡電話02 2789 8550

訪問重要成果

訪問經過

Luis Marky 教授早年追隨熱力學

大師 Ken Breslauer之後為紐約

市大學及內布拉斯加州立大學

網羅是一位核酸熱力學專家

其論文發表在 J Am Chem Soc

Biochemistry Nucleic Acids Res

Methods Enzymol等知名國際專業雜誌上Marky 教授早在博士後研究員時即與本

人相識研究領域也相近一直有和他合作共同研究核酸的性質及結構的想法

他也對我們台灣非常友善此次有幸得到化學中心的資助得以邀請 Marky 來台

一方面洽談合作事誼一方面和國內學者及學生會談增進交流宣導有關核酸方

面的研究Marky 教授在短短一週內訪問了四所學術機構也以四個不同的題材

發表了四場學術演講次數相當密集把這次訪問推到最高峰幸好 Marky 教授

並不以為苦所以是一次成功的訪問 演講行程及概要

十二月四日星期六抵台

十二月五日星期日轉赴花蓮

十二月六日星期一

訪問國立東華大學

以ldquoDNA Hairpin Loops Folding Ligand Binding and Hydrationrdquo為題發表專題演講

- 36 -

十二月七日星期二

訪問中央研究院

以rdquoThermodynamics of DNA Triplexes Contributions of Base-Triplet Stacks and Base

Methylationrdquo為題發表專題演講

十二月八日星期三

訪問國立中正大學

以ldquoThermodynamics of DNA Triplexes Containing C-glycosides Basesrdquo為題發表專題

演講

十二月九日星期四

參觀故宮博物院

十二月十日星期五

訪問國立清華大學

以ldquoSherlock Holmesrsquos Adventures with Nucleic Acidsrdquo 為題發表專題演講

十二月十一日離台

重要收獲及心得

Marky 教授在信中稱他對四所訪問的學術機構中央研究院國立東華大學國

立中正大學及國立清華大學的教學及研究都有深刻的印也意外的面試了一位東

華生科所的學生準備收為研究生這是一件互惠之事Marky 教授也非常希望

能和我們合作共同研究

其他意見

(請見 Luis Marky 教授信)

- 37 -

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 32 -

訪問教授訪問報告表

姓名 Prof Jean-Franccedilois Carpentier

訪問日期民國 94 年 2 月 20 日 至 民國 94 年 2 月 24 日

接待機構 清華大學化學系 接待人 季昀 教授 聯絡電話 (03) 5712956

訪問重要成果 (如篇幅不足另以A4白紙填寫)

1訪問經過

Prof Jean-Franccedilois Carpentier 於 20 日晚間抵達台灣經過一個晚上的短暫

休息星期一早晨赴台大化學系訪問中午與學生共進午餐交換研究心得並瞭解

該校研究狀況星期二赴淡江化學系訪問中午與晚間分別與學生與教員共進午晚

餐交換研究心得並瞭解該校研究近況並談及如何共同申請中法國際合作專案

星期三赴清大化學系訪問中午與該系教員共進午餐交換研究心得並瞭解該校研

究狀況晚間則回返回台北參觀一年一度的台北國際燈會星期四上午安排私人的

自由活動並赴台北市旅遊景點參訪晚間搭乘飛機離台

2演講行程及概要

2 月 21 日台灣大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 22 日淡江大學化學系Lanthanide Complexes Incorporating Fluorenyl-based

Ligands Unusual Bonding Modes and Unique initiators for syndiospecific styrene

polymerization

2 月 23 日清華大學化學系Towards Green Plastics via Stereoselective Polymerization

of rac-Lactide with Discrete Group 3 Metal Complexes

3 重要收獲及心得

瞭解國際學術界在過渡金屬錯合物鑭系稀土錯合物的合成化學與催化反應方面的前

瞻進展狀態

並為建立合適管道執行未來國際學術合作促進國與國間的人員互動人員的相互

了解而努力

4其他意見

- 33 -

訪問教授訪問報告表

- 34 -

訪問教授訪問報告表

- 35 -

訪問教授訪問報告表

姓名Luis A Marky 教授 University of Nebraska Medical Center

訪問日期民國九十三年十二月四日至十一日

接待機構中央研究院 接待人甘魯生 聯絡電話02 2789 8550

訪問重要成果

訪問經過

Luis Marky 教授早年追隨熱力學

大師 Ken Breslauer之後為紐約

市大學及內布拉斯加州立大學

網羅是一位核酸熱力學專家

其論文發表在 J Am Chem Soc

Biochemistry Nucleic Acids Res

Methods Enzymol等知名國際專業雜誌上Marky 教授早在博士後研究員時即與本

人相識研究領域也相近一直有和他合作共同研究核酸的性質及結構的想法

他也對我們台灣非常友善此次有幸得到化學中心的資助得以邀請 Marky 來台

一方面洽談合作事誼一方面和國內學者及學生會談增進交流宣導有關核酸方

面的研究Marky 教授在短短一週內訪問了四所學術機構也以四個不同的題材

發表了四場學術演講次數相當密集把這次訪問推到最高峰幸好 Marky 教授

並不以為苦所以是一次成功的訪問 演講行程及概要

十二月四日星期六抵台

十二月五日星期日轉赴花蓮

十二月六日星期一

訪問國立東華大學

以ldquoDNA Hairpin Loops Folding Ligand Binding and Hydrationrdquo為題發表專題演講

- 36 -

十二月七日星期二

訪問中央研究院

以rdquoThermodynamics of DNA Triplexes Contributions of Base-Triplet Stacks and Base

Methylationrdquo為題發表專題演講

十二月八日星期三

訪問國立中正大學

以ldquoThermodynamics of DNA Triplexes Containing C-glycosides Basesrdquo為題發表專題

演講

十二月九日星期四

參觀故宮博物院

十二月十日星期五

訪問國立清華大學

以ldquoSherlock Holmesrsquos Adventures with Nucleic Acidsrdquo 為題發表專題演講

十二月十一日離台

重要收獲及心得

Marky 教授在信中稱他對四所訪問的學術機構中央研究院國立東華大學國

立中正大學及國立清華大學的教學及研究都有深刻的印也意外的面試了一位東

華生科所的學生準備收為研究生這是一件互惠之事Marky 教授也非常希望

能和我們合作共同研究

其他意見

(請見 Luis Marky 教授信)

- 37 -

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 33 -

訪問教授訪問報告表

- 34 -

訪問教授訪問報告表

- 35 -

訪問教授訪問報告表

姓名Luis A Marky 教授 University of Nebraska Medical Center

訪問日期民國九十三年十二月四日至十一日

接待機構中央研究院 接待人甘魯生 聯絡電話02 2789 8550

訪問重要成果

訪問經過

Luis Marky 教授早年追隨熱力學

大師 Ken Breslauer之後為紐約

市大學及內布拉斯加州立大學

網羅是一位核酸熱力學專家

其論文發表在 J Am Chem Soc

Biochemistry Nucleic Acids Res

Methods Enzymol等知名國際專業雜誌上Marky 教授早在博士後研究員時即與本

人相識研究領域也相近一直有和他合作共同研究核酸的性質及結構的想法

他也對我們台灣非常友善此次有幸得到化學中心的資助得以邀請 Marky 來台

一方面洽談合作事誼一方面和國內學者及學生會談增進交流宣導有關核酸方

面的研究Marky 教授在短短一週內訪問了四所學術機構也以四個不同的題材

發表了四場學術演講次數相當密集把這次訪問推到最高峰幸好 Marky 教授

並不以為苦所以是一次成功的訪問 演講行程及概要

十二月四日星期六抵台

十二月五日星期日轉赴花蓮

十二月六日星期一

訪問國立東華大學

以ldquoDNA Hairpin Loops Folding Ligand Binding and Hydrationrdquo為題發表專題演講

- 36 -

十二月七日星期二

訪問中央研究院

以rdquoThermodynamics of DNA Triplexes Contributions of Base-Triplet Stacks and Base

Methylationrdquo為題發表專題演講

十二月八日星期三

訪問國立中正大學

以ldquoThermodynamics of DNA Triplexes Containing C-glycosides Basesrdquo為題發表專題

演講

十二月九日星期四

參觀故宮博物院

十二月十日星期五

訪問國立清華大學

以ldquoSherlock Holmesrsquos Adventures with Nucleic Acidsrdquo 為題發表專題演講

十二月十一日離台

重要收獲及心得

Marky 教授在信中稱他對四所訪問的學術機構中央研究院國立東華大學國

立中正大學及國立清華大學的教學及研究都有深刻的印也意外的面試了一位東

華生科所的學生準備收為研究生這是一件互惠之事Marky 教授也非常希望

能和我們合作共同研究

其他意見

(請見 Luis Marky 教授信)

- 37 -

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 34 -

訪問教授訪問報告表

- 35 -

訪問教授訪問報告表

姓名Luis A Marky 教授 University of Nebraska Medical Center

訪問日期民國九十三年十二月四日至十一日

接待機構中央研究院 接待人甘魯生 聯絡電話02 2789 8550

訪問重要成果

訪問經過

Luis Marky 教授早年追隨熱力學

大師 Ken Breslauer之後為紐約

市大學及內布拉斯加州立大學

網羅是一位核酸熱力學專家

其論文發表在 J Am Chem Soc

Biochemistry Nucleic Acids Res

Methods Enzymol等知名國際專業雜誌上Marky 教授早在博士後研究員時即與本

人相識研究領域也相近一直有和他合作共同研究核酸的性質及結構的想法

他也對我們台灣非常友善此次有幸得到化學中心的資助得以邀請 Marky 來台

一方面洽談合作事誼一方面和國內學者及學生會談增進交流宣導有關核酸方

面的研究Marky 教授在短短一週內訪問了四所學術機構也以四個不同的題材

發表了四場學術演講次數相當密集把這次訪問推到最高峰幸好 Marky 教授

並不以為苦所以是一次成功的訪問 演講行程及概要

十二月四日星期六抵台

十二月五日星期日轉赴花蓮

十二月六日星期一

訪問國立東華大學

以ldquoDNA Hairpin Loops Folding Ligand Binding and Hydrationrdquo為題發表專題演講

- 36 -

十二月七日星期二

訪問中央研究院

以rdquoThermodynamics of DNA Triplexes Contributions of Base-Triplet Stacks and Base

Methylationrdquo為題發表專題演講

十二月八日星期三

訪問國立中正大學

以ldquoThermodynamics of DNA Triplexes Containing C-glycosides Basesrdquo為題發表專題

演講

十二月九日星期四

參觀故宮博物院

十二月十日星期五

訪問國立清華大學

以ldquoSherlock Holmesrsquos Adventures with Nucleic Acidsrdquo 為題發表專題演講

十二月十一日離台

重要收獲及心得

Marky 教授在信中稱他對四所訪問的學術機構中央研究院國立東華大學國

立中正大學及國立清華大學的教學及研究都有深刻的印也意外的面試了一位東

華生科所的學生準備收為研究生這是一件互惠之事Marky 教授也非常希望

能和我們合作共同研究

其他意見

(請見 Luis Marky 教授信)

- 37 -

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 35 -

訪問教授訪問報告表

姓名Luis A Marky 教授 University of Nebraska Medical Center

訪問日期民國九十三年十二月四日至十一日

接待機構中央研究院 接待人甘魯生 聯絡電話02 2789 8550

訪問重要成果

訪問經過

Luis Marky 教授早年追隨熱力學

大師 Ken Breslauer之後為紐約

市大學及內布拉斯加州立大學

網羅是一位核酸熱力學專家

其論文發表在 J Am Chem Soc

Biochemistry Nucleic Acids Res

Methods Enzymol等知名國際專業雜誌上Marky 教授早在博士後研究員時即與本

人相識研究領域也相近一直有和他合作共同研究核酸的性質及結構的想法

他也對我們台灣非常友善此次有幸得到化學中心的資助得以邀請 Marky 來台

一方面洽談合作事誼一方面和國內學者及學生會談增進交流宣導有關核酸方

面的研究Marky 教授在短短一週內訪問了四所學術機構也以四個不同的題材

發表了四場學術演講次數相當密集把這次訪問推到最高峰幸好 Marky 教授

並不以為苦所以是一次成功的訪問 演講行程及概要

十二月四日星期六抵台

十二月五日星期日轉赴花蓮

十二月六日星期一

訪問國立東華大學

以ldquoDNA Hairpin Loops Folding Ligand Binding and Hydrationrdquo為題發表專題演講

- 36 -

十二月七日星期二

訪問中央研究院

以rdquoThermodynamics of DNA Triplexes Contributions of Base-Triplet Stacks and Base

Methylationrdquo為題發表專題演講

十二月八日星期三

訪問國立中正大學

以ldquoThermodynamics of DNA Triplexes Containing C-glycosides Basesrdquo為題發表專題

演講

十二月九日星期四

參觀故宮博物院

十二月十日星期五

訪問國立清華大學

以ldquoSherlock Holmesrsquos Adventures with Nucleic Acidsrdquo 為題發表專題演講

十二月十一日離台

重要收獲及心得

Marky 教授在信中稱他對四所訪問的學術機構中央研究院國立東華大學國

立中正大學及國立清華大學的教學及研究都有深刻的印也意外的面試了一位東

華生科所的學生準備收為研究生這是一件互惠之事Marky 教授也非常希望

能和我們合作共同研究

其他意見

(請見 Luis Marky 教授信)

- 37 -

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 36 -

十二月七日星期二

訪問中央研究院

以rdquoThermodynamics of DNA Triplexes Contributions of Base-Triplet Stacks and Base

Methylationrdquo為題發表專題演講

十二月八日星期三

訪問國立中正大學

以ldquoThermodynamics of DNA Triplexes Containing C-glycosides Basesrdquo為題發表專題

演講

十二月九日星期四

參觀故宮博物院

十二月十日星期五

訪問國立清華大學

以ldquoSherlock Holmesrsquos Adventures with Nucleic Acidsrdquo 為題發表專題演講

十二月十一日離台

重要收獲及心得

Marky 教授在信中稱他對四所訪問的學術機構中央研究院國立東華大學國

立中正大學及國立清華大學的教學及研究都有深刻的印也意外的面試了一位東

華生科所的學生準備收為研究生這是一件互惠之事Marky 教授也非常希望

能和我們合作共同研究

其他意見

(請見 Luis Marky 教授信)

- 37 -

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 37 -

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 38 -

訪問教授訪問報告表

姓名Kimihiko Hirao

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 23 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

1 訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry in Annual

Meeting of Chinese Chemical Society

Nov 22 Visiting National Tsing Hua University and National Taiwan University

Nov 23 Visiting Taipei accompanied by Dr Hayashi of NTU departure

2 演講行程及概要 seminar schedule and short abstract

Nov 21 The conference of Theoretical and computational Chemistry in Annual Meeting of

Chinese Chemical Society

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

ABSTRACT

Density functional theory (DFT) has advanced to one of the most popular theoretical approaches to calculate molecular properties The first-order molecular properties (energies geometries frequencies dipole moments etc) are well predicted by local GGA functionals However DFT fails to describe induced or response properties Although the valence-excited states can be well described by time-dependent DFT (TDDFT) TDDFT significantly underestimates the Rydberg and charge transfer (CT) excitation energies The computed oscillator strengths have substantial errors Also DFT fails to describe van der Waals interactions This failure has been attributed to the wrong long-range behavior of the standard exchange-correlation functionals

Recently we have proposed a long-range exchange correction scheme for GGA functional In the scheme the two-electron operator 121 r is separated into the short-range and long-range parts by using the standard error function erf such that

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 39 -

12

12

12

12

12

)()(11r

rerfr

rerfr

micromicro+

minus=

where ||12 21 rr minus=r for coordinate vectors of electrons 1r and 2r and micro is a parameter that determines the ratio of these parts The long-range exchange interaction is described by the Hartree-Fock exchange integral and the short-range part is replaced by the GGA exchange functional

The present long-range corrected functional has been successfully applied to the various molecular properties It remedies the underestimation of Rydberg excitation energies and reproduces the correct asymptotic behavior of the CT excitation energies The van der Waals interactions can be described accurately by the present scheme with combining Anderssonrsquos potential

Nov 22 Tsing Hua University A relativistic molecular theory applied to heavy-element chemistry

ABSTRACT

It is now well known that relativistic effects are important in the study of heavy-element systems Instead of the Schroumldinger equation one has to solve the Dirac equation which involves a four-component Hamiltonian Recently we have developed a very efficient algorithm of four-component Dirac-Fock formalism The solution of the Dirac equation however still demands severe computational efforts and its application to molecules is currently limited to small- to medium-size systems Instead of explicitly solving the full four-component relativistic Dirac equation several two-component treatments have been proposed based on the Foldy-Wouthuysen transformation or the method of elimination of small components We have developed two-component RESC theory and the higher order Douglas-Kroll approximation The relativistic kinematics of the electrons leads to markedly contracted s orbitals and to a certain extent contracted p orbitals while orbitals with higher angular momentum are expanded compared with their nonrelativistic counterparts For accurate relativistic calculations the basis sets are also required which are appropriate for the incorporation of the relativistic effects Highly accurate relativistic Gaussian basis sets have been developed for the 103 elements from H (Z=1) to Lr (Z=103) These recent advances in the relativistic molecular theory are reviewed

Institute of Atomic and Molecular Science

A new hybrid DFT functional Accurate description of excited states charge-transfer states and van der Waals interactions

3 重要收獲及心得 major remarks It was very nice for me to participate in the Annual Meeting of Chinese Chemical Society and to meet many active and excellent theoretical and computational chemists in Taiwan I enjoyed scientific discussions with Professors Chin-Hui Yu Sheng Hsien Lin Jim Jr-Min Lin Dr Michitoshi Hayashi et al I hope that my visit will be a starting point to establish a long standing collaborations between Taiwan and Japan in the field of theoretical and computational chemistry 4其他意見 other opinions I very much thank Professor Chin-Hui Yu (National Tsing Hua University) for her warm hospitality and all the help given to me during my stay in Taiwan

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 40 -

訪問教授訪問報告表 姓名Hiroshi Nakatsuji

訪問日期民國 93 年 11 月 20 日 至 民國 93 年 11 月 25 日

接待機構國立清華大學化學系 接待人游靜惠 聯絡電話03-5715131ext3411

訪問重要成果 (如篇幅不足另以A4 白紙填寫) Please attach A4 papers if needed

一訪問經過 visiting schedule

Nov 20 arrival at CKS airport in the afternoon and attending the Banquet of the Annual

Meeting of Chinese Chemical Society

Nov 21 attending The conference of Theoretical and computational Chemistry inAnnual

Meeting of Chinese Chemical Society

Nov 22 Visiting NaiTou accompanied by Prof Feng Yin Li of Chi-Nan University and Prof

San Yan Chu

Nov 23 Visiting National Tsing Hua University

Nov 24 Visiting Taipei accompanied by Dr Hayashi of NTU

Nov 25 Visiting Academia Sinica departure

二演講行程及概要 seminar schedule and abstract

Nov 21 The conference of Theoretical and computational Chemistry inAnnual Meeting of

Chinese Chemical Society

How SAC-CI on Gaussian03 works in chemistry and biology ABSTRACT

Since the publication of the SAC-CI theory and its coding in 1978 many developments and applications have been done In the spring of 2003 this program was incorporated into Gaussian 03 suite of programs and serves world-wide a reliable tool for doing theoretical photochemistry

The SAC-CI theory itself is exact and yet very simple it describes compactly the physics of the excited electronic structure For this reason it has the following merits

1 This theory covers very wide range of different electronic states in a same good accuracy (Fig1)

2 It describes not only the one-electron excited states from the ground state but also the multi-electron excited states

3 Energy-gradient is calculated for any states of Fig 1 for both one- and multi-electron excited states this is also true for geometry optimization

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 41 -

4 Chemistry and physics are investigated with the same methodology from very fine accurate calculations of small molecules to less accurate but reliable calculations of large molecules

5 In combination with the dipped adcluster model we can do theoretical spectroscopy of surface adsorbates and surface photochemistry

Fig1 shows the states that can be studied by the G03 version of the SAC-CI program it covers from singlet to septet ground and excited states and we can compare directly the energies and the properties of different electronic states This is what we are doing in photochemical researches For spectroscopic studies the theory must be able to describe accurately not only the main peak due to the one-electron excitation but also the satellite peaks due to the multi-electron excitations We can reproduce even the very fine details of the excitation and ionization spectra with the SAC-CI method which we call lsquotheoretical fine spectroscopyrsquo which can expand the frontiers of spectroscopy in collaboration with lsquoexperimental fine spectroscopyrsquo For studying geometries vibrations and reactions the force or the energy gradient acting on the constituent nuclei is very important information in our present code we can calculate this quantity for any state shown in Fig1 In our program we adopt perturbation selection procedure and therefore by choosing accuracy we can perform from very accurate calculations of small molecules to less-accurate calculations of large molecular systems in a same theoretical framework We have applied our method to molecular biology For example we clarified the spectra and the electron transfer pathway of the reaction center of the photosynthetic bacteria Rhodopseudomonas Viridis

For systems for which the SAC method must be replaced with the MR-SAC method we already have MEGEX-MEG program Finally the so-called EOM-CC and CCLRT are theoretically equivalent with SAC-CI though the coding algorithm is different

Nov 23 National Tsing Hua University

How Schroedinger equation is solved analytically

ABSTRACT

To develop a general theory of solving the Schroumldinger equation is a central theme of theoretical chemistry it has a huge scientific and practical importance Since 2000 we have investigated the structure of the exact wave functions and proposed the methods of solving the Schroumldinger equation For analytical solutions the singularity problem caused by the nuclear and electron potentials was solved by introducing the scaled Schroumldinger equation We formulate the ICI (iterative CI) method as a general systematic method of calculating the exact wave functions of atoms and molecules in analytical forms Applications to several atoms and molecules are satisfactory showing a high potentiality of the proposed method [1] H Nakatsuji J Chem Phys 113 2949 (2000) [2] H Nakatsuji and E R Davidson J Chem Phys 115 2000 (2001) [3] H Nakatsuji J Chem Phys 115 2465 (2001)

Fig1 SACSAC-CI programAccurate correlation theory for ground and exited states

SAC singlet closed-shell (ground state)

singlet excited statestriplet ground amp excited statesionized states (doublet ground amp excited states)electron-attached states (doublet ground amp excited states)quartet to septet ground amp excited states

Energy Gradient (Force acting on nuclei) Dynamics involving ground and excited states

Subject Chemistry and Physics involving these states(wwwsbchemkyoto-uacjpnakatsuji-lab)

SAC-CI

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 42 -

[4] H Nakatsuji J Chem Phys 116 1811 (2002) [5] H Nakatsuji and M Ehara J Chem Phys 117 9 (2002) [6] H Nakatsuji Phys Rev A 65 052122 (2002) [7] H Nakatsuji Phys Rev Lett 93 030403 (2004)

Nov 25 Institute of Chemistry Academia Sinica

How SAC-CI on Gaussian03 works in chemistry and biology

三重要收獲及心得 major remarks

This was the first visit to Taiwan which was very successful in both science and friendship About science I first gave a talk at the Annual Meeting of Chinese Chemical Society on the basic aspects of SAC-CI on Gaussian 03 since I felt many attendants were students The discussions afterwards were interesting and I also enjoyed the high-quality presentations of the Taiwan Chemists in particular those of Professors Shih-I Lu and San-Yan Chu I would like to thank Professor Ta-Jung Lu for giving this nice opportunity At Tsing Hua University I gave a talk on solving the Schroedinger equation and afterwards we enjoyed scientific discussions with Professors Chin-hui Yu and Feng-Yin Li Solving the Schroedinger equation is not the final goal of quantum chemists but the dawn of the new age of quantum chemistry At Academia Sinica I presented a different aspect of the SAC-CI studies in particular the biological applications to photosynthetic reaction center and rhodopsin photo-induced chemistry The discussions with Professor Michitoshi Hayashi were very illuminating I promised with several Taiwan scientists the collaborations on our common interests I am sure that this is a starting of the future scientific exchange between our laboratory and Taiwan scientists including young generations Professors Chin-hui Yu Michitoshi Hayashi and Feng-Yin Li were very kind as hosts of this nice visit They took me not only to wonderful worlds of science but also to very scenic and historical places in Taiwan My wife Mieko Nakatsuji also enjoyed very much this visit I also would like to thank Professor Bo-Cheng Wang for his kind hospitality

四其他意見 other opinions

I sincerely thank Professor Chin-hui Yu for arranging this nice trip to Taiwan which was very successful for building up scientific and human relationship with Taiwan scientists I would like to thank Professor Ta-Jung Lu for giving this nice opportunity I also thank financial support to this project

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 43 -

訪問教授訪問報告表

姓名平尾俊一(Toshikazu Hirao)

訪問日期民國 93 年 10 月 31 日 至 民國 93 年 11 月 8 日

接待機構清華大學化學系 接待人汪炳鈞 聯絡電話03-5721224

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1訪問經過

如附件(訪問行程)

2演講行程及概要

小林教授訪臺期間共提供四場演講簡述如下

(1) 日期1012004地點台灣師範大學化學系

題目rdquoVanadium in Organic Synthesisrdquo

(2) 日期1022004地點台灣大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(3) 日期1032004地點清華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

(4) 日期1052004地點東華大學化學系

題目rdquoBioorganometallic Chemistry Ferrocene-Peptide Bioconjugaterdquo

3重要收獲及心得

平尾教授學養豐富學術研究領域十分廣泛從天然物全合成新有機合成

方法金屬催化反應生物有機化學材料化學(機能性材料)的探討都有豐碩的

成果來臺訪問期間曾訪問台灣師範大學台灣大學清華大學東華大學化

學系等單位受訪單位同仁均感到受益良多

4其他意見

平尾教授此次到訪安排十分成功對國內提升有關新有機合成方法生物有

機化學的探討以及促進國際學術交流等方面均有其正面意義與價值

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 44 -

Professor Toshikazu Hirao Department of Materials Chemistry

Osaka University

Schedule in Taiwan Oct 31(Sun) Pick up from CKS airport EG 217 Arrival time 1920 Night stay in Taipei

Nov 1(Mon) National Taiwan Normal University Pick up at 0930 am from hotel Host Profrsquos K-MChen and C-T Chen 陳焜銘教授及陳健添教授 Lecture 1000 am Title Vanadium in Organic Synthesis Night stay in Taipei Nov 2 (Tue) National Taiwan University Pick up at 0930 am from hotel Host Prof S-M Peng 彭旭明教授 Lecture 1400 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Taipei

Nov 3 (Wed) National Tsing Hua University Pick up at 0900 am from hotel Host Prof B-J Uang 汪炳鈞教授 Lecture 1410 pm Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hsinchu

Nov 4 (Thu) Leisure trip in Hsinchu and move to Hualein by train Night stay in Hualein

Nov 5 (Fri) National Tung-Hua University Pick up at 0900 am from hotel Host Prof Thomas Tsai 蔡英仁教授 Lecture 1000 am Title Bioorganometallic Chemistry Ferrocene-Peptide

Bioconjugate Night stay in Hualein (花蓮Hualein 泊遠來大飯店)

Nov 6 (Sat) Leisure trip in Hualein Night stay in Hualein Nov 7 (Sun) Move to Taipei by train Return to Japan EG 212 Departure time 1505

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 45 -

訪問教授訪問報告表

姓名Hua Chun Zeng

訪問日期民國 93 年 10 月 4 日 至 民國 93 年 10 月 9 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Zeng 教授目前任職於新加坡國立大學化工及分子生物研究所其主要研究方向為

奈米結構材料之合成(已製備如Co3O4 nano-cubesMoS2 nano-rodsMoO3 nano-platelets 及 Co(OH)2 nano-butterflies 等)與奈米結構材料之組裝(如以 CoMoAl2O3之奈米結構

組裝可進行脫硫之催化反應)其已發表近百篇論文於國際知名期刊故本次擬邀其

訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

105 (二) 拜訪新竹同步輻射中心並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures 107 (四) 拜訪中央研究院並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 108 (五) 拜訪台灣大學化學系並發表演講 講題 Synthesis and Self-Assembly of Inorganic Nanostructures (演講之摘要如附件) 3 重要收獲及心得

Zeng 教授於本次訪問中介紹許多其所發展之奈米材料相關之新製程主要呈現之

研究為合成一系列具相異特殊結構之氧化物首先介紹奈米光觸媒之用途及自清潔

奈米粒子之反應機制以氫氧化鈷為前驅物合成出邊長為 100 nm 之四氧化三鈷奈

米方塊證實其成長乃為一次長單一面並非同時成長並以 XRDXPS 與 IR 證實

其組成結構與表面鍵結之原子種類及其成長機制第二部分為二氧化鈦奈米管陣

列以氧化鋁膜為模版將二氧化鈦奈米管成長於其中第三部分為三氧化鉬奈米材

料由於三氧化鉬之成長方向為 001 方向將二氧化鈦包覆於 001 方向阻止其成長

將導致先成長 100 方向將所有二氧化鈦覆蓋後再成長 001 方向如此將形成如音

叉般之結構同時若將兩音叉結構之三氧化鉬混合反應將可使兩音叉相接形成另一

新穎之結構第四部分為合成氧化鋅之奈米棒將其奈米棒相接將可形成六腳結構

之氧化鋅第五部分為合成出許多片狀之氧化銅將此氧化銅乙醇溶液加入適當量

氨水與氫氧化鈉水溶液與硝酸鈉固體後此些片狀氧化銅將自組裝形成中空之氧化

銅球最後以氧化二銅合成出許多具相異形貌之產物如方塊花朵狀十二角狀

等等此教授以不同之方式合成出具相異結構金屬氧化物其創新之想法值得我們

學習

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 46 -

Attachment The abstract of Prof Hua Chun Zengrsquos talk For NTU and Synchrotron Radiation Centre

Synthesis and Self-Assembly of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore In recent years synthesis of zero- one- and two-dimensional (0D 1D and 2D) materials has become a focal area in nanostructured materials research owing to their many low dimensional characteristics different from the bulk properties To constitute a complete toolbox for the bottom-up approach in nanotechnology the ability of making functional materials into various artificial nanokits and nanoparts is essential Nanostructured materials can be prepared with constrained or unconstrained synthetic methods in which inorganic or organic templates (eg porous oxides well-oriented crystal planes organic ligands solution inhomogeneity and supramolecular arrays) have been utilized In addition to the template-assisted methods a number of template-free approaches (such as Ostwald ripening for solid evacuation in forming hollow nanostructures) have also been developed Our research is focused on development of novel synthesis methods for complex amp composite nanobuilding blocks and their related self-assemblies In particular large-scale synthesis and organization of photosensitive semiconducting nanostructures in a control manner have formed a main part of the research program Applications of these nanomaterials are directed to chemical sensing photocatalysis energy storage solar-cells and medical diagnosis etc in many advanced technologies For Institute of Chemistry Academia Siniaca Architecture and Organization of Inorganic Nanostructures Hua Chun Zeng Department of Chemical and Biomolecular Engineering Faculty of Engineering National University of Singapore One of the major technological challenges in nanoscience and nanotechnology is the self-assembly of tiny nano-building units (nanokits and nanoparts) into larger organized conformations and geometrical architectures for device applications Nonetheless most of morphological organizations of nanomaterials to-date are mainly focused on organic surfactant assisted self-assembly at low or moderate temperatures To make organized nanomaterials usable in high-temperature environments (eg heterogeneous catalysis and laboratory-on-a-chip applications) large-scale organization of inorganic (such as metals and metal oxides) nanostructures in a control manner at elevated temperatures is highly desirable We had recently adventured into this emerging field our research is concentrated on the exploration of various novel organization schemes such as oriented attachment growth-cum-assembly processes lattice-strain-induced organization space-predefined assembly tiered architectures at multiple length scales and in-situ generation of surface capping for self-assembly under one-pot conditions including design and integration of inorganic-organic nanohybrids

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 47 -

訪問教授訪問報告表

姓名Hiyotaka Asakura

訪問日期民國 93 年 7 月 26 日 至 民國 93 年 7 月 29 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Asakura 教授目前任職於日本 Hokkaido 大學之催化研究中心(Catalysis Research Center)其為國際知名奈米催化材料之合成及分析專家其對利用同步輻射之 extendedX-ray absorption fine structure (EXAFS)分析奈米催化材料之局部結構技術尤為其專

長故本次擬邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

727 (二) 拜訪新竹同步輻射中心並發表演講 講題 Chemical Mapping of Surfaces using Energy-filtered X-ray Emission

Electron Microscopy and X-ray Aided Non-contact Atomic Force Microscopy 728 (四)上午 拜訪台灣大學化學系並發表演講 講題 Architecture and Organization of Inorganic Nanostructures 728 (五)下午 拜訪中央研究院並發表演講

講題 XAFS Analysis of Small Bimetallic Clusters (演講之摘要如附件) 3 重要收獲及心得

Asakura 教授研究以 X 光吸收光譜(XAFS)分析金屬奈米粒子之結構與粒徑為主其

以 Ru 於 SiO2 表面之分析實例簡介 XAFS 之原理及分析方式由於奈米科技之發

展金屬奈米粒子之粒子一直為研究人員有興趣之課題當金屬粒子小之數奈米其

表面原子比率將大量增加導致金屬奈米粒子之配位數將不再是原金屬塊材之配位

數根據此一理論以 XAFS 獲得奈米粒子之配位數將可推測其粒徑其以 Pt 金屬奈米粒子為實例比較由 XAFS 與 TEM 所獲得之結果當粒子小於 3 nm 此兩

分析方法之差距將不顯著若粒子較大其分析差異將具顯著之差異因此或許須將

粒子堆積之無序(disorder)與原子間距離考慮列入考慮將可提高此分析方法之準確

性此外另一重要之應用為分析單一雙金屬奈米粒子中金屬原子之分布一般而

言單一粒子含雙金屬即為合金然於單一粒子中兩種金屬原子之分布情形亦可細

分為均勻混和之合金(solid solution)與核-殼結構(core-shell)藉由分析兩種中心吸收

金屬周圍之配位環境而與理論結構之配位數比對即可得知雙金屬粒子之結構其於

演講中舉 PtPd 雙金屬奈米粒子為例本次經由 Asakura 教授之訪問得以對應用 X光吸收光譜分析奈米金屬之結構有更深入之認識

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 48 -

Attachment The abstract of Prof Kiyotaka Asakurarsquos talk For National Synchrotron Radiation Research Centre Chemical Mapping of Surfaces using Energy-filtered X-ray Emission Electron Microscopy

and X-ray Aided Non-contact Atomic Force Microscopy Hironobu Niimi Shushi Suzuki Wang-Jae Chun and Kiyotaka Asakura

Catalysis Research Center Hokkaido University Sapporo 001-0021 Japan Catalysis on surface is going on with the interaction of active sites though the diffusion of substances and the transfer of energy Thus the characterization of the surface inhomogeneity is interesting to understand the catalysis on surface but at the same time a difficult problem We are now developing two types of surface chemical mapping methods EXPEEM (Energy-selected X-ray Photo Emission Electron Microscopy) and XANAM(X-ray aided Non-contact Atomic force Microscopy)

EXPEEM is a combination of XPS and PEEM We are using a Wien filter as an energy analyzer The Wien filter can realize a collinear arrangement of an electron optical path which has a merit for the easier adjustment of optical axis than the hemispherical energy analyzer[1] We have observed element selected image of Au and Ta using Au 4d and Ta 4d photoelectrons respectively[2] The Wien filter is now improved to a multipole type in order to reduce the aberrations of the Wien filter and to increase its transmissivity

Non-contact Atomic force is a promising tool to observe an atomic image of insulating material surfaces by detecting attractive force between the tip and the sample surface However it is difficult to obtain element specific images If photoelectrons excited from a core level state to a LUMO state and the excited electron may modify the attractive force between the tip and the sample surface we may have the element selected image because the excitation of a core level electron requires x-ray photon energy characteristic to the element(namely X-ray absorption edge) In order to confirm the possibility that the X-ray that can excite the core level electron to the LUMO level we measured the X-ray photon energy dependence of the AFM-frequency shift signal of Au islands on Si substrate The AFM frequency shift signal is related to the slope of the attractive force curve between the tip and the sample surface We clearly found a peak at Au L3 absorption edge position when the tip is located over a Au island while no peak appeared in the same energy region for the tip being over a Si substrate This suggests the possibility of the element imaging by AFM aided by X-ray called as XANAM[3] [1] Yasufuku H Asakura K etal ChemLett (2002 ) 842-843 [2] Niimi H Asakura Ket al ApplSurfSci in press(2004 ) [3] Suzuki S Chun W-J Asakura K ChemLett 33 (2004 )636

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 49 -

訪問教授訪問報告表

姓名Elsa Reichmanis

訪問日期民國 93 年 4 月 18 日 至 民國 93 年 4 月 23 日

接待機構 臺灣大學化學系 接待人 劉如熹 聯絡電話02-23690152 ext 148

訪問重要成果 (如篇幅不足另以A4 白紙填寫)

1 訪問經過

Reichmanis 博士目前任職於 Bell Laboratories Lucent Technologies (New Jersey)其

主要研究方向為材料化學界面化學光及電子學其已發表近百篇論文於國際知

名期刊其為 2003 年之美國化學學會會長其對結合基礎及應用研究有許多心得

故本次邀其訪台進行演講及學術交流

2 演講行程及概要

其訪問行程如下

419 (一) 拜訪台灣大學化學系並發表演講 420 (二) 拜訪清華大學化學系並發表演講 421 (三) 上午拜訪新竹國家同步輻射中心及下午拜訪清華大學化學系並發表演講 422 (四) 拜訪中央研究院化學研究所並發表演講 (演講之摘要如附件) 講題 Chemical Design Challenges in Polymeric Materials for Electronic Applications 3 重要收獲及心得

Reichmanis 博士於本次訪問中介紹自 50 年前當電晶體於 Bell Labs 被發現後當其

尺度較人類頭髮直徑小於 1000 倍的現在如何以整合及團隊之工作態度將是未來發展

之重要驅勢其於演講中並提許多實例(如應用於電子及光子晶體之有機及高分子材

料)加以佐證Reichmanis 博士雖貴為 2003 年之美國化學學會會長此次為其首次訪

台其學問淵博但其和藹可親與平易近人之態度更是令人留下深刻之印象

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed

- 50 -

Attachment The abstract of Dr Elsa Reichmanisrsquos talk Chemical Design Challenges in Polymeric Materials for Electronic Applications

Elsa Reichmanis Bell Laboratories

Lucent Technologies Murray Hill New Jersey 07974

The invention of the point contact transistor just a little over 50 years ago lead the way to the development of a miulti-billion dollar electronics industry that impact every aspect of our lives today While this lsquosecond industrial revolutionrsquo has and will continue to depend on almost every field of science and engineering it is materials chemistry in general and polymer chemistry in particular that have provided the foundation for the industry

From the perspective of passive materials it is polymer chemistry that allows for the design of patternable materials that enable the fabrication of circuits with features smaller than 100 nm Today these patterns are created with photolithographic techniques employing a 193 nm light source and materials structure plays the key role in defining performance Polymer and organic materials molecular structure define attributes relating to sensitivity to incident irradiation image contrast absorption plasma etching resistance and aqueous base solubility The interactions between individual components of a given formulation are also critical to defining performance and will be discussed

Polymer materials are further being investigated for the development of ultra-low dielectric constanst materials (k ltlt2) Here polymers may be used as templates for the preparation of nanoporous materials having high mechanical strength coupled with a high degree of porosity Specifically PEO-PPE-PEO triblock polymers have been demonstrated as effective templates for the preparation of nonporous silica like thin films

Within the field of printed polymer and organic electronics progress is driven by both improvements in semiconductor materials and our ability to fabricate small devices over large areas Whether oligomeric or polymeric in nature such materials are attractive candidates for both active materials applications because of their compatibility with low cost processing techniques and as organic molecules they can be precisely functionalized to afford desired performance attributes Materials structure will impact electrical performance (mobility onoff ratio threshold voltage) morphology (surface roughness grain size) adhesion mechanical integrity and chemical and environmental stability In addition the choice of patterning technology that can enable low-cost high-throughput fabrication of semiconductor circuits and devices will be determined by materials solubility and thermal characteristics The challenges associated with the development of practical organic electroactive materials will be described and the relationships between materials structure and process performance will be discussed