Interplay between cation-π and hydrogen bonding interactions

被引：81
|
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：
CHEMICAL PHYSICS LETTERS | 2008年 / 456卷 / 4-6期
关键词：
D O I：
10.1016/j.cplett.2008.03.028
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：
The interplay between two important non-covalent interactions involving aromatic rings is studied by means of ab initio calculations (MP2/6-31++ G**). They demonstrate that synergetic effects are present in complexes where cation-pi and hydrogen bonding interactions coexist. These synergetic effects have been studied using the 'atoms-in-molecules' theory and the Molecular Interaction Potential with polarization partition scheme. (c) 2008 Elsevier B.V. All rights reserved.
引用
收藏
页码：257 / 261
页数：5
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