Refinement of the torsional potential for the H2S2 molecule

Authors
Batchy-Tom, PAL Tyulin, VI Matveev, VK
Citation
Pal. Batchy-tom et al., Refinement of the torsional potential for the H2S2 molecule, RUSS J PH C, 73(12), 1999, pp. 1988-1992
Citations number
38
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY
ISSN journal
00360244 → ACNP
Volume
73
Issue
12
Year of publication
1999
Pages
1988 - 1992
Database
ISI
SICI code
0036-0244(199912)73:12<1988:ROTTPF>2.0.ZU;2-0
Abstract
The r(e) structure for the H2S2 molecule consistent with the known rotation al constants of several torsional levels was obtained for the first time. R elaxation corrections for changes in dihedral angle phi were introduced, an d the F(phi) dependence in the nonrigid approximation was determined. A fai rly exact form of the V(theta) potential was obtained; this potential well reproduced both rotational constants and torsional vibrational levels.