Cation-π interaction with transition-metal complex as cation

被引：48

作者：

Zaric, SD ^{[1
]}

机构：

[1] Univ Belgrade, Dept Chem, YU-11001 Belgrade, Yugoslavia

来源：

CHEMICAL PHYSICS LETTERS | 1999年 / 311卷 / 1-2期

关键词：

D O I：

10.1016/S0009-2614(99)00805-2

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：

A novel type of cation-pi interaction, where a transition-metal complex cation interacts with a pi-system, is predicted here. The theoretical calculations on the [Co(NH3)(6)](3+)-C6H6 system presented demonstrate that a transition-metal complex cation can interact strongly with pi-systems. The bonding energy obtained with the B3LYP method is 31.34 kcal/mol. In the most stable structure, three NH3 groups from [Co(NH3)(6)](3+) interact with the pi-system of benzene. (C) 1999 Elsevier Science B.V. All rights reserved.

引用

页码：77 / 80

页数：4

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