Taking the Aromaticity out of Aromatic Interactions

被引：167

作者：

Bloom, Jacob W. G. ^{[1
]}

Wheeler, Steven E. ^{[1
]}

机构：

[1] Texas A&M Univ, Dept Chem, College Stn, TX 77842 USA

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2011年 / 50卷 / 34期

关键词：

ab initio calculations; aromaticity; noncovalent interactions; stacking interactions; supramolecular chemistry; INDEPENDENT CHEMICAL-SHIFTS; PERTURBATION-THEORY; BASIS-SETS; ENERGIES; BENZENE; RINGS;

D O I：

10.1002/anie.201102982

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

What's in a name? The phrase "aromatic interactions" is widely used to describe noncovalent interactions involving aromatic rings. However, computed stacking energies suggest that disruption of the aromatic π delocalization can enhance many of these interactions and also render them orientation-dependent. Because of these effects, the use of nonaromatic systems should be advantageous in supramolecular chemistry. © 2011 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

引用

页码：7847 / 7849

页数：3

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