OVERTONE FREQUENCIES AND INTENSITIES OF BENT-XY2 MOLECULES IN THE VIBRON MODEL

被引：91

作者：

IACHELLO, F

OSS, S

机构：

[1] UNIV TRENTO,DEPARTIMENTO FIS,I-38050 TRENT,ITALY

[2] IST NAZL FIS NUCL,I-38050 TRENT,ITALY

来源：

JOURNAL OF MOLECULAR SPECTROSCOPY | 1990年 / 142卷 / 01期

关键词：

D O I：

10.1016/0022-2852(90)90293-Y

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

Calculations of overtone frequencies of five bent XY2 molecules, H2O16, H2O18, D2O16, H2S32, and S32O216, with average rms deviations of 1-5 cm-1 are reported. The calculations are performed within the framework of the vibron model and sets of algebraic force field constants are presented. The corresponding wavefunctions are used to calculate intensities in the H2O16 molecule. The calculated intensities are compared with recent measurements of the ATMOS collaboration. © 1990.

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页码：85 / 107

页数：23

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