OVERLAPPING SPHERES X-ALPHA CALCULATIONS OF THE ELECTRON-AFFINITIES AND IONIZATION-POTENTIALS OF ETHYLENE, PARABENZOQUINONE AND THEIR PERFLUORO DERIVATIVES

被引：31

作者：

BLOOR, JE

PAYSEN, RA

SHERROD, RE

机构：

[1] Chemistry Department, University of Tennessee, Knoxville

来源：

CHEMICAL PHYSICS LETTERS | 1979年 / 60卷 / 03期

关键词：

D O I：

10.1016/0009-2614(79)80616-8

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：

It is shown that the overlapping spheres MS Xα method is capable of producing values for the electron affinities, the shape resonances and the ionization potentials of ethylene, parabenzoquinone and their perfluoro derivatives which are in good agreement with available experimental data. The interpretation of the negative ion properties utilizes both Rydberg orbitals and valence orbitals whereas previous approaches have considered only antibonding π* orbitals. © 1979.

引用

页码：476 / 482

页数：7

共 37 条

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