An experimental and theoretical vibrational study of 3,3,6,6-tetramethyl-1,2,4,5-tetrathiane

作者：Coronel A C; Zinczuk J; Fernandez L E; Varetti E L^*

来源：Vibrational Spectroscopy, 2015, 81: 40-45.

DOI：10.1016/j.vibspec.2015.09.006

• Tetramethyl tetrathiane
• Infrared and Raman spectra
• Force constants
• Structure
• DFT calculation

3,3,6,6-tetrametyl-1,2,4,5-tetrathiane, [(CH3)(2)CS2](2), was prepared and the corresponding infrared and Raman spectra were measured. The observed bands were assigned to the different normal modes of vibration after a DFT calculation of the molecular vibrational properties. The experimental vibrational data and the corresponding assignments were subsequently 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 geometrical parameters was made with related molecules.

• 出版日期2015-11