Dewar resonance energy

被引：148

作者：

Schaad, LJ ^{[1
]}

Hess, BA ^{[1
]}

机构：

[1] Vanderbilt Univ, Dept Chem, Nashville, TN 37235 USA

来源：

CHEMICAL REVIEWS | 2001年 / 101卷 / 05期

关键词：

D O I：

10.1021/cr9903609

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The definition of aromaticity and the Dewar resonance energy used for its prediction were presented. The theory included the study of reference structures and comparison with other theoretical aromaticity indices. Results showed that the Hückel computational method along with the Hückel reference structure of isolated double bonds were imperfect for aromaticity prediction. The use of the Dewar-like resonance structure gave a better result and also explained the success of π-electron-only models of conjugated systems.

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页码：1465 / 1476

页数：12

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