Original scientific paper

Pauling's Pair-Defect-Sum Approximation and the Maximum Overlap Method

Chang-Guo Zhan ; Department of Chemistry, Central China Normal University, Wuhan, People's Republic of China
Zhen-Min Hu ; Department of Chemistry, Central China Normal University, Wuhan, People's Republic of China
Frank Liu ; Department of Chemistry, Central China Normal University, Wuhan, People's Republic of China

Abstract

A demonstration of Pauling's pair-defect-sum approximation from the maximum overlap method is presented. It is based on the generalized formula of the bond strength that we obtained for the hybridization of atomic orbitals for systems containing more than 2 ligands. This work indicates that the pair-defect-sum approximation is a reasonable result of the generalized formula, but the expansion terms with its higher power are omitted.

Keywords

Hrčak ID:

175830

URI

https://hrcak.srce.hr/175830

Publication date:

25.2.1990.

Visits: 440 *