Empirical anharmonic force field and equilibrium structure of hypochlorous acid, HOCl

被引：37
|
作者：
Escribano, RM [1 ]
DiLonardo, G [1 ]
Fusina, L [1 ]
机构：
[1] DIPARTIMENTO CHIM FIS & INORGAN,I-40136 BOLOGNA,ITALY
来源：
CHEMICAL PHYSICS LETTERS | 1996年 / 259卷 / 5-6期
关键词：
D O I：
10.1016/0009-2614(96)00774-9
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 cubic and quartic force fields of HOCl are investigated on the basis of the most recent experimental data on vibration-rotation interaction constants and anharmonicity constants. Some discrepancies with respect to previously reported ab initio results are found and discussed. The geometrical parameters of this molecule are also evaluated from recent data on the equilibrium values of the moments of inertia.
引用
收藏
页码：614 / 618
页数：5
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