Clar芳六元理论和Randic共轭电路模型的进展

Fuji Zhang, Xiaofeng Guo, Heping Zhang
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引用次数: 12

摘要

Clar的芳六元理论为描述苯类烃的芳香性提供了一种很好的方法,但主要是基于实验观察。克拉尔定义了六方体模式和苯类化合物的克拉尔数,并观察到对于异构苯类化合物,当克拉尔数增加时,吸收带向更短的波长移动,并且这些同分异构体的稳定性也增加。基于Clar的芳六元理论,定义了六元多项式、Clar多项式和Clar覆盖多项式三种多项式类型,并建立了randiki共轭电路模型。本文综述了近二十年来Clar芳六元理论和randiki共轭电路模型的研究进展。介绍了这些多项式在富勒烯上的新应用,以及苯烃的线性无关多项式和最小共轭回路多项式的计算方法。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Advances of Clar's Aromatic Sextet Theory and Randic´'s Conjugated Circuit Model
Clar's aromatic sextet theory provides a good means to describe the aromaticity of benzenoid hydrocarbons, which was mainly based on experimental observations. Clar defined sextet pattern and Clar number of benzenoid hydrocarbons, and he observed that for isomeric benzenoid hydrocarbons, when Clar number increases the absorption bands shift to shorter wavelength, and the stability of these isomers also increases. Motivated by Clar's aromatic sextet theory, three types of polynomials (sextet polynomial, Clar polynomial, and Clar covering polynomial) were defined, and Randić 's conjugated circuit model was also established. In this survey we attempt to review some advances on Clar's aromatic sextet theory and Randić 's conjugated circuit model in the past two decades. New applications of these polynomials to fullerenes, and calculation methods of linear independent and minimal conjugated circuit polynomials of benzenoid hydrocarbons are also presented.
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