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ANEXO A3 – CÁLCULOS E RESULTADOS
Tabela A3.1- Distâncias de Ligação na Coordenação do Átomo de Paládio e Comparação com o Raio Covalente Normal
Pd-C Å Pd-N Å Pd-Cl Å Pd-P Å Pd-S Å porPd 1,991(5)
2,006(5) 1,992(5) 1,998(5)
cyPd1 2,006(1) 1,982(2) 2,067(1)
2,391(3)
cyPd2 2,011(5); 2,033(6); 2,046(4); 2,018(5); 2,026(6); 2,049(5)
2,262(2); 2,297(2)
cyPd3 1,981(6); 1,972(6),
2,011(5); 2,085(5); 2,126(5); 2,020(5); 2,089(5); 2,140(5),
cyPd4 2,035(6), 2,3541(2); 2,2562(2),
2,423(2),
cyPd5 1,985(5); 1,989(6),
2,005(4); 2,063(4); 2,098(4); 2,018(4); 2,056(5); 2,094(4),
cyPd6 1,974(7); 2,011(6),
2,001(5); 2,030(5); 2,096(6); 1,991(6); 2,039(6); 2,129(6),
cyPd7 2,043(3), 2,160(3), 2,3463(8); 2,2378(8),
cyPd8 1,993(3), 2,068(2), 2,3378(8); 2,4597(8),
cyPd9 2,006(5); 1,928(6),
2,098(4), 2,3929(2),
cyPd10 2,037(7); 2,023(7),
2,111(6); 2,147(6); 2,107(7); 2,153(6),
2,258(2); 2,247(2),
cyPd11 1,979(9); 1,988(8),
2,060(7); 2,054(8); 2,064(7); 2,086(7),
2,454(3); 2,457(3),
R,C,N, 2,08 2,01 2,30 2,37 2,33
161
Tabela A3.2 - Comparação de Valores de distâncias (Å) com a Literatura
Pd-C Pd-N Pd-P Pd-Cl N-N azida Referencia
1 [Cu{Pd(CN)4}(pn)]n 1,991(5)
2,006(5)
1,992(5)
1,988(5)
2 Pd C16 H22 N2 Cl2 1,910(1) 2,006(2)
2,074(1) 2,391(3)
3 {[Pd(CH2 – N(CH3)2) (CL)C=C(Ph)] (µ-Cl)}2 1,993(3) 2,068(2) 2,4517(8); 2,3378(7)
4 {[Pd (C2, N-dmpa) (Cl) (C1- benzonitrila)]} 1,928(6); 2,006(5) 2,098(4); 2,3929(2)
5
{[Pd(C2,N-dmba)(N3)]( µ-dppe)} 2,028(8); 2,026(8)
2,141(2)*; 2,136(1)*; 2,144(7); 2,165(2)*; 2,118(1)*; 2,146(7)
2,254(2); 2,245(2)
1,062(2); 1,174(2); 1,158(1); 1,24(2); 0,952(2); 1,165(1); 1,25(2); 1,28(2)
6 {[Pd(CH2-N(CH3)2)(Cl)C=C(Ph)]2}(µ-Cl)(µ-N3) 1,979(9); 1,988(8)
2,060(7)*; 2,064(7); 2,054(8); 2,086(7) 2,454(3);
2,457(3) 1,163(1); 1,145(1)
7 C19H19ClNPPd 2,039(3) 2,172(2) 2,196(1) 2,3761(6) REDDY, 2002
8 C26H27ClNO2PPd 2,040(4) 2,177(3) 2,196(1) 2,3778(7) REDDY, 2002
9 C37H34BF4NP2Pd 2,053(2) 2,165(2) 2,2756(6) 2,333(2)
REDDY, 2002
10 C28H25Cl3NOPPd 1,983(3) 2,284(2)
2,2494(7) 2,3214(6)
2,3778(7) REDDY, 2002
11
[{Pd[CH2CMe2C(=N-NMePh)Me]}2]
1,985(1)
1,996(1)
2,334(5) 2,490(4)
GASPARRINI, 1985
162
Tabela A3.2 - Continuação
12 [{Pd[CH2C(=N-NmePh)But]Cl}2] 1,959(1) 2,063(1) 2,322(4) 2,450(5)
GASPARRINI, 1985
13 [(C6H4CH2NMe2-C2,N)2Pd2Cl2(µ-dppf)] 2,010(7) 2,146(5) 2,251(2) 2,397(2) FANG MA 2000
14 [(C6H4CH2NMe2-C2,N)Pd(dppp-P,P,)[PF6] 2,070(2) 2,180(1) 2,247(5) 2,391(5)
FANG MA 2000
15 [(C6H4CH2NMe2-C2,N)2Pd2(µ-Cl)(µ-dppm)][PF6] 1,993(4) 2,159(3) 2,256(1) 2,429(8) FANG MA 2000
16 [(C6H4CH2NMe2-C2)Pd(Cl)(dppf-P, P)][PF6] 2,038(7) 2,266(2) 2,401(2)
2,393(2) FANG MA 2000
17 [(C6H4CH2NMe2-C2,N)-(C6H4CH2NMe2-C2)Pd2Cl(µ-Cl)(µ-dppm)][PF6]
2,055(9) 2,030(1) 2,134(8) 2,233(2)
2,267(2)
2,453(2) 2,386(2) 2,429(3)
FANG MA 2000
18 C8H21N2ClPd 2,023(6) 2,060(5) 2,081(5) 2,469(2) ARNEK, 1987
19 C30H52N2Si3Pd2Br 0,15Cl 1,85.0,5C6H6
1,978(4) 1,961(4)
2,068(3) 1,961(4)
2,305(6) 2,462(2) 2,314(6) 2,462(2)
KLEIJ, 2001
20 C52H84N4Si4Pd4Cl4
1,977(6) 1,955(8)
2,078(6) 2,094(6)
2,461(2) 2,334(2) 2,465(2) 2,356(2)
KLEIJ, 2001
21 [(Pd{C6H3(CH2Nme2)2-o ,o’))2(µ-Cl)]BF4
1,929(4) 1,909(4)
2,105(3) 2,100(4) 2,094(3) 2,104(3)
2,463(1) 4,458(1)
GROVE, 1982
22
[As(C6H5)4]2[Pd2(N8)6]α
1,994(1) 2,015(9) 2,016(1) 1,993(1)
1,215(1) 1,122(1) 1,195(1) 1,156(1) 1,239(1) 1,142(1)
FEHLHAMMER,1972
163
Tabela A3.2 - Continuação
23 Pd(C 7H 10N 2)(C 8H 16NO)Cl
2,052(4)
2,086(3) 2,038(3)
2,413(1)
FERGUSON, 1982
24 C9H19Cl2NPd
2,175(7) 2,143(8) 2,039(8)
2,198(6) 2,334(2) FERGUSON,
1984
25 [Pd{2-Ph2P(O)C6H4NHCH2Ph}-Cl2·CH2Cl2 2,032(2)
2,0557(3) 2,3028(7) 2,2894(6)
DOHERTY, 2002
26 [Pd{2-PPh2C6H4N=C(H)Ph}-Cl2]·0.5CH2Cl2 2,063(2) 2,2104(6) 2,2859(6)
2,3866(6) DOHERTY,
2002 27 [Pd{2-PPh2C6H4N=C(H)Ph}ClMe] 2,028(3) 2,196(3) 2,2004(1) 2,3834(9) DOHERTY,
2002 28 [Pd{2-PPh2C6H4N=C(H)C6H4-2-
PPh2}CH3][Cl]·2CH2Cl2
2,052(6) 2,136(9) 2,2648(1) 2,2742(1)
DOHERTY, 2002
29 Trans-PdMe(N3)(Pme3)2 2,044(7) 2,132(9)* 2,310(2) 2,319(2)
1,206(1) 1,144(9)
KIM, 1997
30 Trans-PdMe[CN4(C6H11)](Pme3)2 2,054(8) 2,095(7) 2,297(2)
2,285(2) KIM, 1997
31 trans-PdMe(N3)(PMe3)2 2,010(3) 2,114(3)* 2,3252(8)
2,3106(8) 1,176(4)
1,152(4) KIM,2000
32 trans-Pd(COMe)(NCO)(PMe3)2 1,963(5) 2,119(5) 2,324(1)
2,318(1) KIM,2000
33 trans-(p-H-C6H4)Pd(NCN-2,6-Me2C6H3)(PMe3)2 2,014(3) 2,087(3) 2,311(9)
2,323(8) KIM,2000
34 Pd(CN)Cl[µ-Ph2PCH2C-(NH)C(CN)PPh2]Pd(C N)
2,0001(8) 2,015(7)
2,167(6) 2,092(6) 2,151(5)
2,255(2) 2,239(2)
2,405(2) BRAUNSTEIN, 1983
35 C39H41NPClFePd‚1/2C2H5OH 2,013(7) 2,153(6) 2,236(2) 2,383(2) ZHAO, 1997
36 C40H43NPClFePd 2,000(5) 2,147(4) 2,250(1) 2,372(2) ZHAO, 1997
37 C23H28ClFNPPd 2,012(7) 2,126(7) 2,215(3) 2,397(2) PABEL, 1996
38 C24H31ClNOPPd 1,997(4) 2,155(4) 2,227(1) 2,398(1) PABEL, 1996
39 (2-Me2NCH2C6H4)-P (µ-Cl)(µ-CHtBu)Ta (O-2,6-Pr2C6H3)3
2,006(3) 2,1771(3) 2,086(3) 2,420(1)
LOHNER, 2002
164
Tabela A3.2 - Continuação
40
[(2-Me2NCH2C6H4)-Pd (µ-Cl) (µ-ChtBu)TaCl3]2(µ-DME)
1,995(3)
2,123(3)
2,145(3) 2,445(1)
LOHNER, 2002
41 (2-Me2NCH2C6H4)Pd (µ-Cl)(µ-CH tBu )Ta (CH2CMe2Ph )Cl2
1,989(2) 2,145(2) 2,103(2) 2,4503(7)
LOHNER, 2002
42 C38H30Cl2N4Pd2 1,967(3) 2,027(4)
2,330(1) 2,460(1)
CLARK, 1985
43 [Pd2(C8H10N)2Cl2]
1,946(8) 1,946(7)
2,020(6) 2,019(5)
2,332(2) 2,333(2) 2,447(2) 2,478(2)
CALMUSCHI, 2002
44 [Pd(C8H10N)Cl(C5H5N)] 1,947(1)
1,994(1)
2,056(7) 2,040(7) 2,012(7) 2,042(8)
2,409(3) 2,430(3)
CALMUSCHI, 2002
45 [{Pd[(η5-C5H5)Fe{ η5-C5H3C(CH3)]]N(C6H4CH3-
4)}]( µ -Cl)}2] 1,969(9) 1,961(1)
2,071(8) 2,091(9)
2,328(3) 2,490(3) 2,470(3) 2,321(3)
JIE WU, 1998
46 [Pd(dmba)ClCH2CH2OCH3] 1,955(6) 2,141(5) 2,247(2) 2,365(2) BURROWS, 2000
47 [Pd(dmba)ClCH2CH2CH2OCH3] 2,034(4) 2,156(3) 2,2472(8) 2,3882(1) BURROWS, 2000
48 (+-)-[Pd{p-MeOC6H3CH=NCH2-(1S,2R,5S)- CHCH2CH2CHC(Me)2CHCH2}Cl(PPh3)]
2,011(5) 2,055(6)
2,082(4) 2,111(4)
2,264(1) 2,250(2)
2,380(2) 2,364(2)
ZHAO, 1998
49 (+-)-[{Pd[p-MeOC6H3CH=NCH2-(1S,2R,5S)- CHCH2CH2CHC(Me)2CHCH2]( µ-Cl)}2]
1,981(5) 1,968(5)
2,037(40 2,034(4)
2,340(1) 2,462(1) 2,346(1) 2,495(1)
ZHAO, 1998
50 [PdCl{kC,kN-(C]N)}(PPh3)] 2,010(3) 2,103(3) 2,2475(8) 2,3659(9) ALBERT, 1998
51 [NO2Pd(dien)]NO3
2,028(7) 2,041(4) 2,047(6); 2,048(4)
PAHOR, 1975
165
Tabela A3.2 - Continuação
52 [NO2Pd(Et4dien)]NO3
2,053(1) 2,082(2) 1,988(1) 2,098(1)
PAHOR, 1975
53 [N3Pd(Et4dien)]NO3
2,077(1) 2,101(1) 1,985(1) 2,089(1)
1,130(2) 1,150(4)
PAHOR, 1975
54 [Pd{(η5-C5H5)Fe[η5-C5H3CH=N(CH2)nPh]}Cl(PEt3)] 1,999(6) 2,148(5) 2,243(2) 2,390(2) LÓPEZ, 1992
55 [Pd{ η5-C5H5)Fe[η5-C5H3)CH=NCH2Ph]}Cl(PPh3)] 2,004(5) 2,146(6) 2,247(2) 2,368(2) LÓPEZ, 1994
56 [Pd{ η5-C5H5)Fe[η5-C5H3CH2NMe2]}Cl 1,967(3) 2,112(3) 2,029(2) 2,411(1) LÓPEZ, 1994
57 [{Pd(C6H5-CH2N=C-(COC6H5)-C6H4)(µ-Cl)}2] 1,967(5) 2,026(4) 2,457(1) 2,317(1)
RANNINGER, 1994
*nitrogênio da azida
166
Tabela A3.3 - Comparação de valores de ângulo (o) de coordenação para estruturas similares
N Pd Cl N Pd C Cl Pd C C Pd C Cl Pd Cl N Pd P N Pd N C Pd P Referência
1
[Cu{Pd(CN)4}(pn)]n
88,1(2) 90,2(2) 88,4(2) 93,3(2) 178,1(2) 175,9(2)
2 Pd C16 H22 N2 Cl2 94,0(3) 176,6(4) 84,1(4)
176,3(3) 89,1(3)
92,8(5)
3 {[Pd(CH2–N(CH3)2)(Cl)C=C(Ph)](µ-Cl)}2 95,94(7) 82,76(1) 96,51(9) 84,79(3) 4 {[Pd(C2,N-dmpa)(Cl) (C1- benzonitrila)]} 92,35(1) 83,60(2) 90,04(2) 94,10(2) 5 {[Pd(C2,N-dmba)(N3)](µ-dppe)} 81,10(3)
80,80(3)* 90,75(4)*
92,20(4)* 93,40(4)* 94,70(5)*
94,70(3) 92,80(3)
6 {[Pd(CH2-N(CH3)2)(Cl)C=C(Ph)]2}(µ-Cl)(µ-N3)
95,60(2) 82,50(2)*
95,40(2) 82,50(2)*
99,00(3)* 83,00(3) 99,50(3)* 82,80(3)
7 [Pd{2-Ph2P(O)C6H4NHCH2Ph}-Cl2·CH2Cl2 93,63(4) 93,29(6)
91,48(2) 81,98(8) DOHERTY, 2002
8 [Pd{2-PPh2C6H4N=C(H)Ph}-Cl2]·0.5CH2Cl2 95,95(6) 91,68(2) 82,10(6) DOHERTY, 2002
9 [Pd{2-PPh2C6H4N=C(H)Ph}ClMe] 96,06(8) 89,92(1) 80,65(8) 93,82(1) DOHERTY, 2002
10 [Pd{2-PPh2C6H4N=C(H)C6H4-2-PPh2}CH3] [Cl]·2CH2Cl2
94,4(3) 80,1(3)
93,24(2) 92,62(2)
DOHERTY, 2002
11 Trans-PdMe(N3)(Pme3)2
85,9(3) 92,2(3)
90,1(2) 92,7(2)
KIM, 1997
12 Trans-PdMe[CN4(C6H11)](PMe3)2
94,6(2) 88,9(2) 87,3(2) 88,8(2)
KIM, 1997
13 [(C6H4CH2NMe2-C2,N)2Pd2Cl2(µ-dppf)] 91,8(2) 81,4(1) 98,0(2) FANG MA 2000
167
Tabela A3.3 - Comparação 14 [(C6H4CH2NMe2-C2,N)Pd(dppp-P,P,)[PF6] 79,5(7) 100,7(4) 91,8(6) FANG MA
2000 15 [(C6H4CH2NMe2-C2,N)2Pd2(µ-Cl)(µ-dppm)][PF6] 92,27(1) 81,6(2) 94,6(1) FANG MA
2000 16 [(C6H4CH2NMe2-C2)Pd(Cl)(dppf-P, P)][PF6] 89,1(2) 85,4(2) FANG MA
2000 17 [(C6H4CH2NMe2-C2,N)-(C6H4CH2NMe2-
C2)Pd2Cl(µ-Cl)(µ-dppm)][PF6] 90,7(3) 81,8(4) 88,8(2) 93,62(8) 91,7(2)
95,8(3) FANG MA 2000
18
[As(C6H5)4]2[Pd2(N8)6]α
96,7(4)*
93,1(5)*
93,5(6)*
76,8(2)*
FEHLHAM-MER, 1972
19 [Pd2(C8H10N)2Cl2]
95,67(2) 95,82(2) 81,2(3)
81,9(3) 96,1(2)
86,90(7) 96,5(2) 86,15(7)
CALMUS-CHI, 2002
20 [Pd(C8H10N)Cl(C5H5N)]
93,9(2) 89,6(2) 93,9(2) 89,9(2)
81,2(3) 95,5(4) 81,3(4) 95,1(4)
CALMUS-CHI, 2002
21
[{Pd[(η5-C5H5)Fe{ η5-C5H3C(CH3)]] (C6H4CH3-4)}]( µ -Cl)}2] [{Pd[(η5-C5H5)Fe{ η5-C5H3C ,H3)]]N(C6H4CH3-4)}]( µ -Cl)}2]
80,4(4) 79,5(5)
92,5(3) 93,4(4)
87,0(1) 86,6(1)
JIE WU, 1998
22 [Pd(dmba)ClCH2CH2OCH3] 92,5(2) 80,1(2) 96,7(2) BURROWS 2000
23 [Pd(dmba)ClCH2CH2CH2OCH3] 90,16(9) 82,72(1) 96,8(1) BURROWS 2000
24 (+-)-[Pd{p-MeOC6H3CH=NCH2-(1S,2R,5S)- CHCH2CH2CHC(Me)2CHCH2}Cl(PPh3)]
92,9(1) 92,3(2)
78,8(2) 82,4(2)
95,6(1) 91,9(1)
ZHAO, 1998
25 (+-)-[{Pd[p-MeOC6H3CH=NCH2-(1S,2R,5S)- CHCH2CH2CHC(Me)2CHCH2]( µ-Cl)}2]
96,6(1) 98,45(1)
81,5(2) 81,2(2)
95,5(1) 94,9(1)
86,42(4) 85,53(4)
ZHAO, 1998
26 [PdCl{kC,kN-(C]N)}(PPh3)] 93,58(8) 80,54(1) 94,68(9) ALBERT,
1998
168
Tabela A3.4 – Distância do paládio ao plano
Estrutura Distância do paládio ao plano (Å)
Referência
1 [Cu{Pd(CN)4}(pn)]n -0,821 1
2 Pd C16 H22 N2 Cl2 0,0169 2
3 C26 H44 N10 P2 Pd2 -0,0279
0,0355
3
4 C24H30N6Pd2 -0,0598
0,0446
4
5 C40H56N2P2SPdCl3 -0,0636 5
6 C36H34N6Pd2 -0,025380
0,025389
6
7 C32H26N6Pd2 -0,0520
-0,0272
7
8 C36H38N4P2Pd -0,0339 8
9 {[Pd(CH2 – N(CH3)2) (Cl)C=C(Ph)] (µ-Cl)]}2 0,006 9
10 {[Pd (C2, N-dmpa) (Cl) (C1-benzonitrila)]} 0,0023 10
11 {[Pd(C2, N-dmba)(N3)]2(µ-dppe)} -0,062 0,123
0,115 -0,086
11
12 {[Pd(CH2-N(CH3)2 (Cl)C=C(Ph)]2} (µ-Cl) (µ-
N3)
-0,0100
-0,0350
12
13 [Pd-C(C6H5)=C(Cl)CH2NMe2(µ -Cl)]2 0,005 Zanine, 2002
14 [Pd(C2F3O2)(C27H34N3)] 0,014 Bröring,2007
15 [Pd(CH3)Cl(C23-H25O2P)] 0,020 Elsegood, 2007
16 [Pd(O2CMe)2(4-FC6H3CHMe-NH2)2] -0,017
0,019
Calmuschi, 2004
17 (S)-NH2CHMeC6H3F -0,020 Calmuschi, 2004
18 [PdCl2{P(C6H5)3}2]1/2(p-C6H4Cl2)] 0,071 Kitano, 1983
169
Tabela 7 – Continuação
19 [Pd-C(o-F3CC6H4)=C(Cl)CH2NMe2(µ -Cl)]2 0,004 Zanine, 2002
20 cis-[Pd(N3)2(tmen) 0,011 Treu-Filho, 2007
21 [Pd(CH3)Cl(C24H21-NOP2)]_C2H6OS -0,012 Elsegood, 2007
22 cis-[Pd(Cl2(tmen)] 0,010 Treu-Filho, 2007
23 [Pd(dmba)Cl(L3)] 0,021 Burrows, 2000
24 [Pd2(L3)2Cl4] H2O 0,042 Lekkas, 2006
25 [PdCl(CH3)(C18H15P)2] 0,032 Otto, 2001
26 [Pd(µ-pz)(pzH)2]2+2 0,0557 Boixassa, 2003
27 [Cu(dpt)Pd(CN)4] 0,895 Manna, 2007
28 [Cu2(medpt)2Pd(CN)4](ClO4)2 , 3H2O 1,388 Manna, 2007
29 [Cu2(dien)2Pd(CN)4](ClO4)2 , 2CH3OH -0,590 Manna, 2007
30 [Cu2(iPrdien)2Pd(CN)4](ClO4)2 ,2H2O -1,026 Manna, 2007
31 [PdCl2(C6H5ClN)(C18H15P)],CH2Cl2 0,004 Asma, 2005
32 [Cu2Pd(CN)4(C6H15N3)2]Br2,
[Cu2Pd2(CN)8(C6H15N3)2],H2O
-0,65 Kuchár,2009
33 [Pd(C8H10N)Cl(C5H5N)] 0,024 Calmuschi-Cula,
2009
34 [PdBr(C8H10N)(C5H5N)] 0,034 Calmuschi-Cula,
2009
35 [PdBr(C8H9BrN)(C6H7N)] 0,020 Calmuschi-Cula,
2009
36 [Pd(C8H9BrN)I(C6H7N)] 0,010 Calmuschi-Cula,
2009
37 [Pd(C4H6N2)2Cl2] 0,015 Navarro, 1983
38 [Pd(l-OOCMe)4Co]2(l-OOCMe)2Pd(py)2 1,105 Nefedov, 2007
39 cis-Pd(2,2,bipyridine)(NO3)2 , H2O -0,017 Adrian, 2007
40 [Pd(PPh3 )Cl]2 (µ, η2 -SCNMe2 )2 0,031 Yih, 2003
41 Pd[PhP(C6H4-2-SCH2Cl)(C6H4-2-S)]
(Ph2PCH2CH2PPh2)]}+
0,0263 Benítez, 2006
170
Tabela 7 – Continuação
42 [Pd2(C2,N-dmba)2(µ-N3)( µ-Cl)] 0,0276 Almeida, 2007
43 [Pd(C2,N-dmba)(µ-N3)]2 -0,024 Almeida, 2007
44 C29H36ClN3OPd 0,072 Günay, 2009
45 C31H40ClN3OPd -0,012 Günay, 2009
46 PdCl2(CH3CN)2 0,013 Cui, 2009
47 [Pd(dmba)(µ-Cl)]2 -0,022 Mentes, 2004
48 [Pd(dmba)(PPh3)] 0,056 Mentes, 2004
49 Trans-PdMe(N3)(Pme3)2 0,0656 Kim, 1997
50 Trans-PdMe[CN4(C6H11)](Pme3)2 0,014 Kim, 1997
51 [Pd(N,C-dmba)(NCO)(2,3-lut)] 0,037 Ananias, 2004
52 [Pd(H2CCOMe)Cl(2,2,-bipy)] 0,029 Ananias, 2004
171
Tabela A3.5 – Ângulo Interatômico
Estrutura Ângulo (0) Referência
1 [Cu{Pd(CN)4}(pn)]n 177 1
2 Pd C16 H22 N2 Cl2 176,45 2
3 C26 H44 N10 P2 Pd2 175,32 3
4 C24H30N6Pd2 171,93 4
5 C40H56N2P2SPdCl3 175,2 5
6 C36H34N6Pd2 173,67 6
7 C32H26N6Pd2 175,5 7
8 C36H38N4P2Pd 175,85 8
9 {[Pd(CH2 – N(CH3)2) (Cl)C=C(Ph)] (µ-Cl)]}2 178,92 9
10 {[Pd (C2, N-dmpa) (Cl) (C1-benzonitrila)]} 176,01 10
11 {[Pd(C2, N-dmba)(N3)]2(µ-dppe)} 169 11
12 {[Pd(CH2-N(CH3)2 (Cl)C=C(Ph)]2} (µ-Cl) (µ-N3) 176,6 12
13 [Pd-C(C6H5)=C(Cl)CH2NMe2(µ -Cl)]2 179 Zanine, 2002
14 [Pd(C2F3O2)(C27H34N3)] 177,95 Bröring,2007
15 [Pd(CH3)Cl(C23-H25O2P)] 176,37 Elsegood, 2007
16 [Pd(O2CMe)2(4-FC6H3CHMe-NH2)2] 175,49 Calmuschi, 2004
17 (S)-NH2CHMeC6H3F 176,42 Calmuschi, 2004
18 [PdCl2{P(C6H5)3}2]1/2(p-C6H4Cl2)] 176,5 Kitano, 1983
19 [Pd-C(o-F3CC6H4)=C(Cl)CH2NMe2(µ -Cl)]2 176,2 Zanine, 2002
20 cis-[Pd(N3)2(tmen) 170,52 Treu-Filho, 2007
21 [Pd(CH3)Cl(C24H21-NOP2)]_C2H6OS 177,93 Elsegood, 2007
22 cis-[Pd(Cl2(tmen)] 176,9 Treu-Filho, 2007
23 [Pd(dmba)Cl(L3)] 174,2 Burrows, 2000
24 [Pd2(L3)2Cl4] H2O 177,55 Lekkas, 2006
25 [PdCl(CH3)(C18H15P)2] 176,3 Otto, 2001
26 [Pd(µ-pz)(pzH)2]2+2 177,55 Boixassa, 2003
27 [Cu(dpt)Pd(CN)4] 178 Manna, 2007
28 [Cu2(medpt)2Pd(CN)4](ClO4)2 , 3H2O 174,4 Manna, 2007
172
29 [Cu2(dien)2Pd(CN)4](ClO4)2 , 2CH3OH 180 Manna, 2007
30 [Cu2(iPrdien)2Pd(CN)4](ClO4)2 ,2H2O 180 Manna, 2007
31 [PdCl2(C6H5ClN)(C18H15P)],CH2Cl2 177 Asma, 2005
32 [Cu2Pd(CN)4(C6H15N3)2]Br2,
[Cu2Pd2(CN)8(C6H15N3)2],H2O
178,3 Kuchár,2009
33 [Pd(C8H10N)Cl(C5H5N)] 175 Calmuschi-Cula,
2009
34 [PdBr(C8H10N)(C5H5N)] 175,6 Calmuschi-Cula,
2009
35 [PdBr(C8H9BrN)(C6H7N)] 174,23 Calmuschi-Cula,
2009
36 [Pd(C8H9BrN)I(C6H7N)] 174,54 Calmuschi-Cula,
2009
37 [Pd(C4H6N2)2Cl2] 180 Navarro, 1983
38 [Pd(l-OOCMe)4Co]2(l-OOCMe)2Pd(py)2 179,62 Nefedov, 2007
39 cis-Pd(2,2,bipyridine)(NO3)2 , H2O 175,25 Adrian, 2007
40 [Pd(PPh3 )Cl]2 (µ, η2 -SCNMe2 )2 178,3 Yih, 2003
41 Pd[PhP(C6H4-2-SCH2Cl)(C6H4-2-S)]
(Ph2PCH2CH2PPh2)]}+
171,7 Benítez, 2006
42 [Pd2(C2,N-dmba)2(µ-N3)( µ-Cl)] 177,15 Almeida, 2007
43 [Pd(C2,N-dmba)(µ-N3)]2 174,9 Almeida, 2007
44 C29H36ClN3OPd 176,3 Günay, 2009
45 C31H40ClN3OPd 175,7 Günay, 2009
46 PdCl2(CH3CN)2 176,3 Cui, 2009
47 [Pd(dmba)(µ-Cl)]2 177,6 Mentes, 2004
48 [Pd(dmba)(PPh3)] 172,9 Mentes, 2004
49 Trans-PdMe(N3)(Pme3)2 171,55 Kim, 1997
50 Trans-PdMe[CN4(C6H11)](Pme3)2 173,6 Kim, 1997
51 [Pd(N,C-dmba)(NCO)(2,3-lut)] 177,2 Ananias, 2004
52 [Pd(H2CCOMe)Cl(2,2,-bipy)] 174,9 Ananias, 2004
173
Tabela A3.6 – Superfície de van der Waals
Estrutura VSA Referência
1 [Cu{Pd(CN)4}(pn)]n 320,02 1
2 Pd C16 H22 N2 Cl2 528,2 2
3 C26 H44 N10 P2 Pd2 1261,72 3
4 C24H30N6Pd2 753,27 4
5 C40H56N2P2SPdCl3 998,21 5
6 C36H34N6Pd2 949,18 6
7 C32H26N6Pd2 834,71 7
8 C36H38N4P2Pd 922,85 8
9 {[Pd(CH2 – N(CH3)2) (Cl)C=C(Ph)] (µ-Cl)]}2 364,53 9
10 {[Pd (C2, N-dmpa) (Cl) (C1-benzonitrila)]} 546,06 10
11 {[Pd(C2, N-dmba)(N3)]2(µ-dppe)} 1199,64 11
12 {[Pd(CH2-N(CH3)2 (Cl)C=C(Ph)]2} (µ-Cl) (µ-N3) 740,24 12
13 [Pd-C(C6H5)=C(Cl)CH2NMe2(µ -Cl)]2 395,48 Zanine, 2002
14 [Pd(C2F3O2)(C27H34N3)] 796,63 Bröring,2007
15 [Pd(CH3)Cl(C23-H25O2P)] 656,52 Elsegood, 2007
16 [Pd(O2CMe)2(4-FC6H3CHMe-NH2)2] 595,27 Calmuschi, 2004
17 (S)-NH2CHMeC6H3F 626,39 Calmuschi, 2004
18 [PdCl2{P(C6H5)3}2]1/2(p-C6H4Cl2)] 847,85 Kitano, 1983
19 [Pd-C(o-F3CC6H4)=C(Cl)CH2NMe2(µ -Cl)]2 443,38 Zanine, 2002
20 cis-[Pd(N3)2(tmen) 379,64 Treu-Filho, 2007
21 [Pd(CH3)Cl(C24H21-NOP2)]_C2H6OS 592,8 Elsegood, 2007
22 cis-[Pd(Cl2(tmen)] 342,75 Treu-Filho, 2007
23 [Pd(dmba)Cl(L3)] 893,24 Burrows, 2000
24 [Pd2(L3)2Cl4] H2O 704,1 Lekkas, 2006
25 [PdCl(CH3)(C18H15P)2] 864,29 Otto, 2001
26 [Pd(µ-pz)(pzH)2]2+2 258,13 Boixassa, 2003
27 [Cu(dpt)Pd(CN)4] 500,74 Manna, 2007
28 [Cu2(medpt)2Pd(CN)4](ClO4)2 , 3H2O 532,7 Manna, 2007
174
29 [Cu2(dien)2Pd(CN)4](ClO4)2 , 2CH3OH 438,29 Manna, 2007
30 [Cu2(iPrdien)2Pd(CN)4](ClO4)2 ,2H2O 407,3 Manna, 2007
31 [PdCl2(C6H5ClN)(C18H15P)],CH2Cl2 625,67 Asma, 2005
32 [Cu2Pd(CN)4(C6H15N3)2]Br2,
[Cu2Pd2(CN)8(C6H15N3)2],H2O
393,04 Kuchár,2009
33 [Pd(C8H10N)Cl(C5H5N)] 373,6 Calmuschi-Cula,
2009
34 [PdBr(C8H10N)(C5H5N)] 377,77 Calmuschi-Cula,
2009
35 [PdBr(C8H9BrN)(C6H7N)] 430,88 Calmuschi-Cula,
2009
36 [Pd(C8H9BrN)I(C6H7N)] 436,52 Calmuschi-Cula,
2009
37 [Pd(C4H6N2)2Cl2] 360,44 Navarro, 1983
38 [Pd(l-OOCMe)4Co]2(l-OOCMe)2Pd(py)2 1301,23 Nefedov, 2007
39 cis-Pd(2,2,bipyridine)(NO3)2 , H2O 385,55 Adrian, 2007
40 [Pd(PPh3 )Cl]2 (µ, η2 -SCNMe2 )2 1157,37 Yih, 2003
41 Pd[PhP(C6H4-2-SCH2Cl)(C6H4-2-S)]
(Ph2PCH2CH2PPh2)]}+
1058,22 Benítez, 2006
42 [Pd2(C2,N-dmba)2(µ-N3)( µ-Cl)] 499,74 Almeida, 2007
43 [Pd(C2,N-dmba)(µ-N3)]2 415,95 Almeida, 2007
44 C29H36ClN3OPd 803,53 Günay, 2009
45 C31H40ClN3OPd 863,02 Günay, 2009
46 PdCl2(CH3CN)2 859,99 Cui, 2009
47 [Pd(dmba)(µ-Cl)]2 326,62 Mentes, 2004
48 [Pd(dmba)(PPh3)] 671,28 Mentes, 2004
49 Trans-PdMe(N3)(Pme3)2 422,39 Kim, 1997
50 Trans-PdMe[CN4(C6H11)](Pme3)2 452,67 Kim, 1997
51 [Pd(N,C-dmba)(NCO)(2,3-lut)] 498,08 Ananias, 2004
52 [Pd(H2CCOMe)Cl(2,2,-bipy)] 381,59 Ananias, 2004
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