QUANTITATIVE RESONANCE THEORY - RESONANCE ENERGIES OF SUBSTITUTED CONJUGATED HYDROCARBONS AND THE INHERENT RESONANCE EFFECTS OF SUBSTITUENTS

被引：1
|
作者：
YANG, PP
机构：
[1] Department of Chemistry, Yunnan University, Kunming
来源：
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 1995年 / 337卷 / 01期
关键词：
D O I：
10.1016/0166-1280(95)04119-Q
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：
Quantitative resonance theory (QRT) involving the use of weight is extended to mono- and di-substituted conjugated systems. Resonance energies are obtained from the logarithm of the structure count of a molecule, and the resonance structures used are merely those applied in conventional resonance theory. QRT results agree well with sophisticated MO calculations or experiments and lead naturally to the Taft equation for substituent resonance effects.
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页码：77 / 87
页数：11
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