Experimental and theoretical studies of the d8-d10 interaction between Pd(II) and Au(I):: Bis(chloro[(phenylthiomethyl)diphenylphosphine]gold(I))-dichloropalladium(II) and related systems

被引：64

作者：

Crespo, O

Laguna, A ^{[1
]}

Fernández, EJ

López-de-Luzuriaga, JM

Jones, PG

Teichert, M

Monge, M

Pyykkö, P

Runeberg, N

Schütz, M

Werner, HJ

机构：

[1] Univ Zaragoza, Inst Ciencia Mat Aragon, Dept Quim Inorgan, CSIC, E-50009 Zaragoza, Spain

[2] Univ La Rioja, Grp Sintesis Quim Rioja, UA,CSIC, Dept Quim, E-26001 Logrono, Spain

[3] Tech Univ Carolo Wilhelmina Braunschweig, Inst Anorgan & Analyt Chem, D-38023 Braunschweig, Germany

[4] Univ Gottingen, Inst Anorgan & Analyt Chem, D-37077 Gottingen, Germany

[5] Univ Helsinki, Dept Chem, FIN-00014 Helsinki, Finland

[6] Univ Stuttgart, Inst Theoret Chem, D-70569 Stuttgart, Germany

来源：

INORGANIC CHEMISTRY | 2000年 / 39卷 / 21期

关键词：

D O I：

10.1021/ic000420p

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The reaction between thioether phosphine gold(I) precursors such as [AuCl(Ph2PCH2SPh)], 1, or [Au(Ph2PCH2-SPh)(2)]CF3SO3 and PdCl2(NCPh)(2) affords the new compounds [{AuCl(Ph2PCH2SPh)}(2)PdCl2], 2, and [AuPdCl2(Ph-2-PCH2SPh)(2)]CF3SO3, 3. The crystal structure of complex 2 has the sterically unhindered Pd(II) and Au(I) at a distance of 314 pm. Quasirelativistic pseudopotential calculations on [AuPdCl3(PH2CH2SH)(SH2)] models give short Au-Pd distances at the second-order Moller-Plesset (MP2) level and long Au-Pd distances at Hartree-Fock (HF) level. A detailed analysis of the Au-Pd interaction shows dominant dispersion, some ionic contributions, and no net charge transfer between the metals.

引用

页码：4786 / 4792

页数：7

共 48 条

[1] The C-H•••Cl hydrogen bond:: Does it exist? [J].