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Vibrational Spectra of Dimethyldithiophosphinate Anion: (CH3)2PS2 |
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| Authors: | Claudio A. Téllez S. Sergio G. de la Riva Eduardo Hollauer Ionel Haiduc Cristian S. Silvestru |
| Affiliation: | 1. Departamento de Química , Pontificia Universidade Católica do Rio de Janeiro , PUC-Rio. Rua Marqués de S. Vicente 225, Gávea., Cep: 22453-900, Rio de Janeiro, RJ, Brazil;2. Departamento de Físico-Química , Universidade Federal Fluminense (UFF) , Morro do Valonguinho s/n. Niterói, Centro, Cep: 24210-150, Rio de Janeiro, Brazil;3. Chemistry Department , Babes-Bolyai University , R-3400, Cluj-Napoca, Romania |
| Abstract: | Abstract The infrared and Raman spectra of dimethyldithiophosphinate anion (CH3)2PS2 were measured and the vibrational modes for the anion complex were assigned. A Normal Coordinate Analysis in the Modified General Valence Force Field (MGVFF) approximation was carried out assuming C2v symmetry. Ab Initio Calculations at RHF and MP2 level were also carried out for the anion geometry as well as for its frequencies, intensities and force constants. |
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