QUINTET ELECTRONIC STATES IN THE SPECTROSCOPY OF OZONE

被引：10

作者：

BANICHEVICH, A ^{[1
]}

PEYERIMHOFF, SD ^{[1
]}

GREIN, F ^{[1
]}

机构：

[1] DEPT CHEM NEW BRUNSWICK,FREDERICTON E3B 6E2,NB,CANADA

来源：

CHEMICAL PHYSICS LETTERS | 1992年 / 195卷 / 5-6期

基金：

加拿大自然科学与工程研究理事会;

关键词：

D O I：

10.1016/0009-2614(92)85545-L

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：

Potential energy surfaces for six quintet electronic states of ozone which correlate with the two fragmentation limits O (3P(g))+O2 (X 3-SIGMA(g)-) and 0 (3P(g))+O2 (A'3-DELTA(u)) are calculated employing a multireference configuration-interaction (MRD-CI) treatment in a Gaussian AO basis. Transition energies as well as binding energies based on a two-dimensional potential energy surface are presented. The possible involvement of the quintet states in ozone photochemistry is discussed.

引用

页码：459 / 468

页数：10

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