Molecular constants of XeO3F2

Abstract

The force constants of XeO3F2 have been evaluated using the general valence force field. The mean square amplitudes of vibration, the generalised mean square amplitudes and shrinkage constants, Coriolis coupling coefficients and centrifugal distortion constants have also been calculated for the first time using the vibrational frequencies and the structural parameters. The thermodynamic properties have been computed for the ideal gaseous state at 1 atmospheric pressure for 11 temperatures from 100° to 1000°K using a rigid rotor harmonic oscillator approximation.