Non-empirical calculations of the probabilities of vibrational transitions in hydrogen halide molecules

Vibration→Rotation Energy Transfer in Hydrogen Chloride

“…A theory taking simultaneous account of the oscillator's rotational degree of freedom and the translational degree of freedom has been developed by Nikitin and co-workers. 17 The appropriate combination of vibration and translation is deduced by assuming the angular dependence of the intermolecular potential to be given by the shape of the molecular equielectron density curves. The reduced masses in this calculation are largely from the rotational degree of freedom since ,uDCI-OCI* / ,uHCI-HCl* = 6.2/3.5 is nearly equal to two, the value for pure rotational motion.…”

Interpretation of the vibrational relaxation of H2 in H2 within the semiclassical effective mass approach

“…A system that satisfies this condition is a hydrogen hydridenoble gas pair when EM is considerably lower than . [1][2][3][4] For homonuclear diatomics, when the anisotropy is not very large and does not strongly exceed M, the effective mass EM does not differ much from . However, this fact does not imply that the effect of rotation of the diatom on the vibrational relaxation is small since the relaxation rate depends exponentially on the effective mass.…”