Vibrational spectra and structure of organophosphorus compounds

Abstract

The infrared spectra of both CH₃OPSClF and CD₃OPSClF in the vapor phase have been recorded from 4000 to 33 cm⁻¹. The Raman spectra of the liquids have been recorded and a temperature study of the CD₃OPSClF spectrum has been completed. Two isomeric configurations are indicated from the low-temperature Raman spectra. The doublet due to the P=S stretching vibration has a separation of only 15 cm⁻¹. From the variation in the relative intensity of the doublet, an energy difference of −450 cal/mol was obtained for the two isomers. The fundamental vibrations are assigned on the basis of the band positions and isotopic shift factors. The assignments are compared to those previously given for the CH₃OPSCl₂ and CH₃OPSF₂ molecules.