Spectroscopic studies of vibrational constants, statistical thermodynamics, and quantum mechanical studies of polarizabilities for the difluorides of oxygen and sulfur

Abstract

The vibrational spectral, electron diffraction, and microwave spectral studies have been briefly analyzed for the difluorides of oxygen and sulfur. On the basis of group theoretical considerations, the root-mean-square amplitudes at the room temperature for both the bonded and nonbonded atom pairs have been evaluated. The Coriolis coupling coefficients have been, in terms of the symmetrized mean-square amplitudes, computed. On the basis of a rigid rotator and harmonic oscillator model, enthalpy function, free enthalpy function, entropy, and heat capacity have been computed for the temperatures from 200 K to 2000 K for both molecules. The experimental and calculated values of entropies and heat capacities are in good agreement with each other for oxygen difluoride. The delta-function potential model based on the variational method and the delta-function electronic wave functions has been employed here for the calculation of atomic polarizabilities, bond parallel components, bond perpendicular components, contribution by the nonbonding electrons, and average molecular polarizabilities for these two molecules. The results have been discussed on the chemical significance of the two characteristic bonds of these two molecular systems.