Vibrational Spectra and Structure of Organophosphorous Compounds. XIX. Infrared and Raman Spectra and Structure of Methoxydifluorophosphine-D0 and -d3

Abstract

The infrared spectra of CH3OPF2 and CD3OPF2 in the gaseous and solid states and the Raman spectra of the gaseous, liquid, and solid states have been recorded from 3200 to 40 cm−1. Seventeen of the 18 normal modes have been assigned through the use of group frequencies, depolarization values, band contours, and frequency shifts with isotopic substitution. The V3 term of the asymmetric potential function was calculated to have a value of 3.41 kcal/mol from the fundamental and first overtone of the methoxy torsion. The vibrational spectra support a trans conformation for this molecule.