Chem. J. Chinese Universities ›› 1991, Vol. 12 ›› Issue (8): 1091.

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A Study on Electronic Structure of Polyhedranes C2nH2nwith Molecular Orbital Method

Hu Xu-guang, Li Qian-shu   

  1. Institute of Theoretical Chemistry, Jilin University, Changchun, 130021
  • Received:1990-02-09 Online:1991-08-24 Published:1991-08-24

Abstract: In this paper quantum chemistry calculations on polyhedrones C2nH2n(n= 2,3,4,5 and 10) and their skeletons C2are made by INDO method and Edmiston-Ruedenberg localization method. Then their electronic structure, stability and the properties of chemical bonds for the molecules are compared and discussed.

Key words: Polyhedrone C2nH2n, INDO calculation, Localized molecular orbital

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