Molecular force field for thionyl fluoride and sulphuryl fluoride

Abstract

The potential energy constants of thionyl fluoride and sulphuryl fluoride were calculated using a modified UBRF. The behaviour of the oxygen atom is found to be similar to that of the lone pair of electrons in thionyl fluoride. The vibrational mean amplitudes of thionyl fluoride and sulphuryl fluoride were also calculated from the vibrational spectral data.