SOME OMEGA TECHNIQUE CALCULATIONS ON VERTICAL IONIZATION POTENTIALS OF MONO-AND 1,4-DISUBSTITUTED BENZENES

被引：8

作者：

CALDOW, GL

HARRISON, GF

机构：

[1] Department of Theoretical Chemistry, The University, Bristol

来源：

TETRAHEDRON | 1969年 / 25卷 / 16期

关键词：

D O I：

10.1016/S0040-4020(01)82876-3

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

Some calculations on the effects of substituents on the vertical ionization potentials of mono- and 1,4-disubstituted benzenes are reported. The results support many of the conclusions of Baker et al. as to the origin of the ejected electrons. In particular, the splitting of the degenerate levels of benzene on substitution is satisfactorily reproduced. © 1969.

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页码：3429 / &

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