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Advances of Clar's Aromatic Sextet Theory and Randic′'s Conjugated Circuit Model

机译:Clar的芳烃链理论和Randic的共轭电路模型的研究进展

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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 absorptionbands 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, andRandic′'s conjugated circuit model was also established. In this survey we attempt to review some advances on Clar's aromatic sextet theory and Randic′'s conjugated circuit model in the past two decades. New applications of thesepolynomials to fullerenes, and calculation methods of linear independent and minimal conjugated circuit polynomials of benzenoid hydrocarbons are also presented.
机译:克拉尔的芳香六分体理论提供了一个很好的手段来描述苯并类烃的芳香性,这主要是基于实验观察。 Clar定义了六面体形式的苯甲烃类化合物的六重峰图案和Clar数目,他观察到,对于异构体的Benzenoid烃类,当Clar数目增加时,吸收带会移至较短的波长,并且这些异构体的稳定性也会增加。根据Clar的芳香六重理论,定义了三种类型的多项式(六项多项式,Clar多项式和Clar覆盖多项式),并建立了Randic的共轭电路模型。在本次调查中,我们尝试回顾过去20年中Clar的芳香六重理论和Randic的共轭电路模型的一些进展。还提出了这些多项式在富勒烯中的新应用,以及苯类碳氢化合物的线性独立和最小共轭电路多项式的计算方法。

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