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.
引用
收藏
页码：900 / 905
页数：6
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