VIBRATIONAL-SPECTRA OF DIMETHYLDITHIOPHOSPHINATE ANION - (CH3)(2)PS2-

Authors
TELLEZ CA DELARIVA S HOLLAUER E HAIDUC I SILVESTRU CS
Citation
Ca. Tellez et al., VIBRATIONAL-SPECTRA OF DIMETHYLDITHIOPHOSPHINATE ANION - (CH3)(2)PS2-, Spectroscopy letters, 31(7), 1998, pp. 1469-1483
Citations number
12
Categorie Soggetti
Spectroscopy
Journal title
Spectroscopy letters → ACNP
ISSN journal
00387010
Volume
31
Issue
7
Year of publication
1998
Pages
1469 - 1483
Database
ISI
SICI code
0038-7010(1998)31:7<1469:VODA-(>2.0.ZU;2-A
Abstract
The infrared and Raman spectra of dimethyldithiophosphinate anion (CH3 )(2)PS2- were measured and the vibrational modes for the anion complex were assigned. A Normal Coordinate Analysis in the Modified General V alence Force Field (MGVFF) approximation was carried out assuming C-2v symmetry. At, Initio Calculations at RHF and MP2 level were also carr ied out for the anion geometry as well as for its frequencies, intensi ties and force constants.