Noncovalent Metal-Metal Interactions: The Crucial Role of London Dispersion in a Bimetallic Indenyl System

被引：40

作者：

Schwabe, Tobias ^{[1
]}

Grimme, Stefan ^{[1
]}

Djukic, Jean-Pierre ^{[2
]}

机构：

[1] Univ Munster, Inst Organ Chem, D-48149 Munster, Germany

[2] Univ Strasbourg, Inst Chim, F-67000 Strasbourg, France

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2009年 / 131卷 / 40期

关键词：

AUXILIARY BASIS-SETS; COMPLEXES; APPROXIMATION; SUBSTITUTION; MECHANISM; ISOMERS; RI-MP2; ENERGY;

D O I：

10.1021/ja905617g

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The nature of the "heterodox" metal-metal bond in bimetallic indenyl systems is revealed by a new high-level electronic structure analysis procedure based on perturbation theory within a Localized molecular orbital basis. Surprisingly strong metal-metal interactions are found, and their origin in London dispersion effects has been uncovered. The importance of intramolecular van der Waals interactions, even for quite small organometallic systems, is highlighted.

引用

页码：14156 / +

页数：3

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