Cation-π vs anion-π interactions:: a complete π-orbital analysis

被引：38

作者：

Garau, C ^{[1
]}

Frontera, A ^{[1
]}

Quiñonero, D ^{[1
]}

Ballester, P ^{[1
]}

Costa, A ^{[1
]}

Deyà, PM ^{[1
]}

机构：

[1] Univ Illes Balears, Dept Quim, Palma de Mallorca 07122, Spain

来源：

CHEMICAL PHYSICS LETTERS | 2004年 / 399卷 / 1-3期

关键词：

D O I：

10.1016/j.cplett.2004.10.014

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 complete orbital analysis of two isoelectronic complexes of trifluorobenzene (TFB), TFB...F- and TFB...Na+, as models for anion-pi and cation-pi interactions, respectively, has been performed at the MP2/6-31++G** level of theory. There are important orbital differences between both interactions, which are discussed in detail herein. (C) 2004 Elsevier B.V. All rights reserved.

引用

页码：220 / 225

页数：6

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