物理化学学报 >> 1987, Vol. 3 >> Issue (02): 192-196.doi: 10.3866/PKU.WHXB19870214

研究论文 上一篇    下一篇

部分同谱分子

陈尔霆   

  1. 沈阳化工学院
  • 收稿日期:1985-12-11 修回日期:1986-07-30 发布日期:1987-04-15
  • 通讯作者: 陈尔霆

PARTLY ISOSPECTRAL MOLECULES

Chen Erting   

  1. Shenyang Institute of Chemical Technology
  • Received:1985-12-11 Revised:1986-07-30 Published:1987-04-15
  • Contact: Chen Erting

摘要: 本文在HMO近似内讨论部分同谱分子。认为在一个没有对称面的分子中, 可能隐含着一个对称面。对称面将分子分成两部分。这两部分所表示的共轭体系是部分同谱分子。它们与整个分子也是部分同谱分子。文中讨论了三顶点链图, 这种链图表示了无数个部分同谱分子进行收缩的总结果, 同时用少数例子加以说明。

Abstract: In this paper, properties of molecular graphs with partly identical topological spectra has been discussed in detail. The concept of pseudo-reflection plane has been described and illustrated by a few examples. The molecular graph G which does not contain the plane of symmetry is said to have a pseudo-reflection plane σ_p if there exists a symmetry plane in a deleting graph G_a′. The G is partitioned into two parts G_(A1)(σ_p), G_(A2)(σ_p) by the plane σ_p. The conjugated species G_(A1)(σ_p)、 G_(A2)(σ_p) are isospectral or partly isospectral molecules if the construction of G_(A1)(σ_p)、G_(A2)(σ_p) are not identical.
In this present article a straight chain containing three vertices has been studied. This graph stands for a general result result of the deletion of numerous partly isospectral molecules.