Interplay between Anion-π and Hydrogen Bonding Interactions

被引：76
|
作者：
Escudero, Daniel [1 ]
Frontera, Antonio [1 ]
Quinonero, David [1 ]
Deya, Pere M. [1 ]
机构：
[1] Univ Illes Balears, Dept Quim, Palma de Mallorca 07122, Spain
来源：
JOURNAL OF COMPUTATIONAL CHEMISTRY | 2009年 / 30卷 / 01期
关键词：
noncovalent interactions; hydrogen bonding; anion-pi interactions; cooperativity; ab initio calculations; CATION-PI; TOPOLOGICAL ANALYSIS; ELECTRON-DENSITY; RECOGNITION; COMPLEXES; REACTIVITY; DESIGN; MP2;
D O I：
10.1002/jcc.21031
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The interplay between two important noncovalent interactions involving aromatic rings is studied by means of high level ab initio calculations. They demonstrate that synergistic effects are present in complexes where anion-pi and hydrogen bonding interactions coexist. These synergistic. effects have been studied using the "atoms-in-molecules" theory and the Molecular Interaction Potential with polarization partition scheme. The present study examines how these two interactions mutually influence each other. (C) 2008 Wiley Periodicals. Inc. J Comput Chem 30: 75-82, 2009
引用
收藏
页码：75 / 82
页数：8
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