A MOLECULAR-ORBITAL STUDY ON THE ELECTRON DONATING AND ACCEPTING ABILITIES OF NONALTERNANT POLYCYCLIC CONJUGATED HYDROCARBONS

被引：6

作者：

AOKI, Y

IMAMURA, A

MURATA, I

机构：

[1] HIROSHIMA UNIV,FAC SCI,DEPT CHEM,HIGASHISENDA MACHI,NAKA KU,HIROSHIMA 730,JAPAN

[2] OSAKA UNIV,FAC SCI,DEPT CHEM,TOYONAKA,OSAKA 560,JAPAN

来源：

TETRAHEDRON | 1990年 / 46卷 / 19期

关键词：

D O I：

10.1016/S0040-4020(01)87857-1

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

Electronic properties of non-alternant polycyclic conjugated hydrocarbons are investigated by using the perturbation theory for degenerate systems on the basis of NBMOs of alternants. The HOMO and the LUMO energy levels are represented as a function of the size of the odd membered-ring included in the non-alternant polycyclic hydrocarbon. © 1990.

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页码：6659 / 6672

页数：14

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