CEQUINOR 05415
CENTRO DE QUIMICA INORGANICA "DR. PEDRO J. AYMONINO"
Unidad Ejecutora - UE
artículos
Título:
An experimental and theoretical vibrational study of 3,3,6,6-tetramethyl-1,2,4,5-tetrathiane
Autor/es:
A. C. CORONEL; J. ZINCZUK; L. E. FERNÁNDEZ; E. L. VARETTI
Revista:
VIBRATIONAL SPECTROSCOPY
Editorial:
ELSEVIER SCIENCE BV
Referencias:
Lugar: Amsterdam; Año: 2015 vol. 81 p. 40 - 45
ISSN:
0924-2031
Resumen:
3,3,6,6-tetrametyl-1,2,4,5-tetrathiane, [(CH3)2CS2]2,was prepared and the corresponding infrared and Raman spectra were measured.The observed bands were assigned to the different normal modes of vibrationafter a DFT calculation of the molecular vibrational properties. Theexperimental vibrational data and the corresponding assignments weresubsequently used as a basis for the definition of a Scaled Quantum Mechanics(SQM) force field for the studied molecule. A comparison of force constants and geometricalparameters was made with related molecules.
