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化学学报
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化学学报 ›› 1981, Vol. 39 ›› Issue (2): 97-111.    下一篇

论文

具有重复单元的共轭分子的能谱问题

唐敖庆, 杨忠志, 江元生   

  1. 吉林大学理论化学研究所 长春
  • 投稿日期:1979-02-22 发布日期:2013-06-03

HÜCKEL SPECTRUM OF CONJUGATED LONG-CHAIN MOLECULES

TANG AO-QING, YANG ZHONG-ZHI, JIANG YUAN-SHENG   

  1. Theoretical Chemistry Institute, Jilin University, Changchun
  • Received:1979-02-22 Published:2013-06-03

PDF

749

被引次数

10

本文推导了直链单连的具有重复单元的共轭分子的HMO本征多项式的解析表达式,对其中两类直链分子得到了分解表达式。本文还研究了具有Cnv对称性的共轭分子本征多项式的分解问题,并且应用它可以得到两类直链共轭分子本征多项式的分解表达式,指出了可以进行分解的条件。给出了若干分子系列本征多项式的具体表达形式或分解形式。

The characteristic polynomial and energy spoctrum of conjugated molecules play an important role in Hiickel theory,No general result is available for polymer molecules except the cyclic ones with periodic symmetrical structnre,In this paper,two analytical formulas of the characteristic polynomial are given for such a kind of linear and cyclic systems in which each pair of neighboring monomer units are linked via a single π bond.