同谱分子

Abstract

[中文文摘]本文根据HG的约化、变形和交替烃的图形方法,建立了一种研究分子同谱性质的有效图解法。应用图解法可以直观、简便地判断同谱分子,并能直接找出一个HG的同谱点和无约束点,构造出共轭分子的同谱图。这种图形方法又使Herndon等人提出的判断同谱点和无约束点方法得到群理论根据。[英文文摘]Based upon the reduction and transformation of Huckel graph and the graphical method of AH, an effetive diagrammatic method for the study of the cospectral properties of conjugated molecules is established in this paper. The application of this graphical method gives a judgment for the study of isospectral molecules in a simple and direct manner, and provides a direct method for the determination of isospectral points and unrestricted points on Huckel graph, and consequently, provides a method for construct the isospectral graphy of the conjugated molecules.Moreover,this graphical method provides a group theoretical interpretation of Herndon's criteria for the isospectral points and unrestrieted points.