ANHARMONICITY OF NORMAL VIBRATIONS AND ITS INFLUENCE ON DEVIATIONS OF O-H BOND IN H2O MOLECULE

被引：0
|
作者：
Okhrimenko, B. A. [1 ]
Yablochkova, K. S. [1 ]
机构：
[1] Taras Shevchenko Kyiv Natl Univ, Fac Phys, 2 Acad Glushkov Ave, UA-03127 Kiev, Ukraine
来源：
UKRAINIAN JOURNAL OF PHYSICS | 2007年 / 52卷 / 06期
关键词：
D O I：
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中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
The inverse problem of vibrational spectroscopy for an H2O molecule in the gaseous state and liquid water has been solved. The calculations for chemical bond deviations were carried out taking the anharmonicity of vibrations into account. The potential barrier height and the inversion frequency through the linear configuration of an H2O molecule have been evaluated for a number of vibrational states.
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页码：559 / 564
页数：6
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