THE STRUCTURE AND VIBRATIONAL FREQUENCIES OF THE ARHN2+ COMPLEX

被引：16

作者：

KOLBUSZEWSKI, M

机构：

[1] Steacie Institute for Molecular Sciences, National Research Council of Canada, Ottawa

来源：

CHEMICAL PHYSICS LETTERS | 1995年 / 244卷 / 1-2期

关键词：

D O I：

10.1016/0009-2614(95)00901-F

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：

The ArHN: ion has been studied using correlated ab initio methods. Geometric structures, vibration frequencies and intensities have been computed using the MP2 method and large basis sets. The cluster is linear with the structure ArHNN and Ar-H distance of 1.835 Angstrom. The complex is bound by approximately 3000 and 13000 cm(-1) with respect to dissociation to Ar + HN2+ and ArH+ + N-2, respectively. The most intense infrared transition is expected to be the H-N stretch around 2330 cm(-1).

引用

页码：39 / 44

页数：6

共 20 条

[11] ANHARMONIC FORCE CONSTANT CALCULATIONS [J].