Aurophilic attraction in binuclear complexes with Au(I) and Au(III).: A theoretical study

被引：73

作者：

Mendizabal, F

Pyykkö, P

机构：

[1] Univ Chile, Fac Ciencias, Dept Quim, Santiago, Chile

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

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2004年 / 6卷 / 05期

关键词：

D O I：

10.1039/b313666c

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Model compounds are used to study the aurophilic attraction among gold atoms in the different oxidation states Au(I)-Au(I), Au(I)-Au(III) and Au(III)-Au(III). An attraction is found for all models and there is a reasonable agreement between the experimental and theoretical geometries at the MP2 level. The dispersion, induction and electrostatic multipole components to this attraction are analyzed using intermolecular models.

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页码：900 / 905

页数：6

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