Interplay between cation-π, anion-π and π-π interactions

被引：142

作者：

Quinonero, David

Frontera, Antonio ^{[1
]}

Garau, Carolina

Ballester, Pablo

Costa, Antoni

Deya, Pere M.

机构：

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

[2] ICREA, Tarragona 43007, Spain

[3] Inst Chem Res Catalonia ICIQ, Tarragona 43007, Spain

来源：

CHEMPHYSCHEM | 2006年 / 7卷 / 12期

关键词：

ab initio calculations; aromatic rings; molecular recognition; noncovalent interactions; pi interactions;

D O I：

10.1002/cphc.200600343

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：

(Figure Presented) Strong synergic effects: A computational MP2 study proves that very strong synergic effects are present in complexes where cation-π, anion-π and π-π interactions coexist (see figure). The interactions have been analyzed using Bader's theory of "atoms in molecules" and the energetic-partition scheme of the molecular interaction potential with polarization. © 2006 Wiley-VCH Verlag GmbH & Co. KGaA.

引用

页码：2487 / 2491

页数：5

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