Theoretical Calculation of the Rototranslational Collision-Induced Absorption (CIA) Spectra in O2–O2 Pairs

Abstract

Abstract Quantum mechanical lineshapes of collision-induced absorption (CIA) at room temperature are computed for gaseous molecular oxygen using theoretical values for induced dipole moments and new isotropic interatomic potential as input. Comparison with measured spectra of the rototranslational collision-induced absorption shows good agreement over the full range of frequencies. Empirical models of the dipole moment which reproduce the experimental spectra and the first two spectral moments more closely than the fundamental theory are also given. The quality of the present potential has been checked by comparing between calculated and experimental thermo-physical and transport properties over a wide temperature range, which are found to be in good agreement.