Quantum Dynamics of Rotational Energy Transfer Processes for N2–HF and N2–DF Systems

Abstract

The rate coefficients of rotationally inelastic collision processes for N2-HF as well as N2-DF systems were calculated by applying the recently developed coupled-states approximation including the nearest neighbor Coriolis couplings approach, based on the full-dimensional ab initio intermolecular potential energy surface. It was found that the energy gap law governs these energy transfer processes. For rotational quenching of N2 (j1 = 2-10) by the ground rotational state of HF, j1 = 6 and 5 have the maximum quenching rate for ortho-N2 and para-N2, respectively. Quenching rate coefficients for initially excited HF and DF (j2 = 1) in collisions with N2 were also reported, where N2-DF has a larger quenching rate than N2-HF due to larger density of states of the N2-DF system.