Infrared and raman spectra of methyl thiocyanate and conformations of some alkyl thiocyanates and isothiocyanates

Abstract The infrared spectra (3200-40 cm − ) of gaseous and solid methylthiocyanate and the Raman spectra (3200-10 cm − ) of the liquid and solid have been recorded. A complete vibrational assignment is presented based on group frequencies, infrared gas phase band contours, and Raman depolarization values. From the infrared and Raman spectra of the solid, it is clear that there are at least two molecules per primitive cell. The spectral results will be discussed and compared to other alkyl thiocyanates and isothiocyanates.