MOLECULAR-STRUCTURE AND FORCE-FIELD OF SILICON DICHLORIDE AND SILICON DIBROMIDE FROM JOINT ANALYSIS OF VIBRATIONAL SPECTROSCOPIC AND ELECTRON-DIFFRACTION DATA

被引:11
作者
GERSHIKOV, AG
SUBBOTINA, NY
HARGITTAI, M
机构
[1] HUNGARIAN ACAD SCI, STRUCT CHEM RES GRP, PF 117, H-1431 BUDAPEST, HUNGARY
[2] EOTVOS LORAND UNIV, H-1364 BUDAPEST 5, HUNGARY
关键词
D O I
10.1016/0022-2852(91)90093-P
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
A joint analysis of electron diffraction and vibrational spectroscopic data has been performed for silicon dichloride and silicon dibromide. Various theoretical expressions for the model potentials have been tested. Both molecules appear to be rigid systems with small nuclear displacements and negligible vibrational anharmonicity. The equilibrium geometry and the force constants for both molecules have been determined and reliable deformation frequencies were estimated, viz., 195 ± 13 cm-1 and 130 ± 8 cm-1 for SiCl2 and SiBr2, respectively. © 1990.
引用
收藏
页码:293 / 303
页数:11
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