O-H ••• PtII:: Hydrogen bond with a strong dispersion component

被引：0
|
作者：
Kozelka, J
Bergès, J
Attias, R
Fraitag, J
机构：
[1] Univ Paris 05, Chim & Biochim Pharmacol & Toxicol Lab, CNRS, UMR 8601, F-75270 Paris, France
[2] Univ Paris 06, Chim Theor Lab, F-75005 Paris, France
来源：
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2000年 / 39卷 / 01期
关键词：
ab initio calculations; dispersion energy; hydrogen bonds; perturbation theory; platinum;
D O I：
10.1002/(SICI)1521-3773(20000103)39:1<198::AID-ANIE198>3.0.CO;2-O
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
An MP2 ab initio study of the interaction between a H2O molecule and trans-[Pt(OH)2(NH3)2] revealed a HO-H···Pt(II) hydrogen bond (see picture) with a strong dispersion component (ca. 4 kcal mol-1). This dispersion interaction is independent of the charge on the complex and is likely to be ubiquitous in aqueous solutions of Pt(II) complexes.
引用
收藏
页码：198 / +
页数：5
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