AB-INITIO STUDIES OF COMPLEXES OF OZONE WITH SOME POSITIVE-IONS

被引：9

作者：

SNYDER, G ^{[1
]}

SAPSE, D ^{[1
]}

机构：

[1] NIGHTINGALE BAMFORD SCH,NEW YORK,NY 10128

来源：

CHEMICAL PHYSICS LETTERS | 1994年 / 218卷 / 04期

关键词：

D O I：

10.1016/0009-2614(93)E1497-5

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：

Ab initio calculations using the 6-31G* and the 6-311G* basis sets are performed on HeO3+, LiO3+ and N2O3+ complexes. In the HeO3+ and N2O3+ complexes the positive charge is on the oxygen and the complexes are not bound with respect to dissociation into He or N2 and O3+. In the LiO3+ complex the positive charge is on lithium and the complex is strongly bound with respect to the Li+ and O3.

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页码：372 / 376

页数：5

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