ELECTRONIC STRUCTURE OF BORON HYDRIDES .3. BASIC THEORY AND ITS RELATIONSHIP TO HUCKEL THEORY OF CONJUGATED HYDROCARBONS

被引：26

作者：

KETTLE, SFA

TOMLINSO.V

机构：

[1] Department of Chemistry, The University, Sheffield

来源：

THEORETICA CHIMICA ACTA | 1969年 / 14卷 / 03期

关键词：

D O I：

10.1007/BF00527273

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

In parts I and II of this series [1] it has been demonstrated that localized three centre and two centre bonds may be used as basic functions for molecular orbital calculations on closed (cage") and open ("basket") boron polyhedral molecules. In the present paper it is shown that the "face" and "edge" matrices of this theory are related to incidal and 1 and 2 simplexial matrices in the same way that Hückel matrices in the theory of unsaturated hydrocarbons are related to incidal matrices and 0 and 1 simplexial matrices. The theory is thus a topologically-correct extension of Hückel theory to three dimensions. © 1969 Springer-Verlag."

引用

页码：175 / &