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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
應
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
室
(1) 台大生工系 廖秀娟教授
未定
王忠茂教授
E302 教
室
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
室
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
室
4 月 18 日 國立交通大學應化
所
陳月枝教授
未定 林震煌教授 E302 教
室
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
室
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
室
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
室
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
室
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
夜
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
夜
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
用
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
應
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
室
(1) 台大生工系 廖秀娟教授
未定
王忠茂教授
E302 教
室
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
室
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
室
4 月 18 日 國立交通大學應化
所
陳月枝教授
未定 林震煌教授 E302 教
室
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
室
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
室
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
室
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
室
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
夜
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
夜
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
用
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
應
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
室
(1) 台大生工系 廖秀娟教授
未定
王忠茂教授
E302 教
室
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
室
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
室
4 月 18 日 國立交通大學應化
所
陳月枝教授
未定 林震煌教授 E302 教
室
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
室
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
室
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
室
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
室
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
夜
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
夜
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
用
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
室
(1) 台大生工系 廖秀娟教授
未定
王忠茂教授
E302 教
室
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
室
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
室
4 月 18 日 國立交通大學應化
所
陳月枝教授
未定 林震煌教授 E302 教
室
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
室
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
室
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
室
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
室
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
夜
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
夜
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
用
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
室
(1) 台大生工系 廖秀娟教授
未定
王忠茂教授
E302 教
室
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
室
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
室
4 月 18 日 國立交通大學應化
所
陳月枝教授
未定 林震煌教授 E302 教
室
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
室
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
室
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
室
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
室
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
夜
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
夜
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
用
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
室
(1) 台大生工系 廖秀娟教授
未定
王忠茂教授
E302 教
室
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
室
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
室
4 月 18 日 國立交通大學應化
所
陳月枝教授
未定 林震煌教授 E302 教
室
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
室
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
室
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
室
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
室
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
夜
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
夜
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
用
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
室
(1) 台大生工系 廖秀娟教授
未定
王忠茂教授
E302 教
室
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
室
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
室
4 月 18 日 國立交通大學應化
所
陳月枝教授
未定 林震煌教授 E302 教
室
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
室
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
室
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
室
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
室
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
夜
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
夜
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
用
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
夜
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
夜
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
用
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
用
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
用
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
用
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
用
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
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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
用
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
用
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
