Journal of Physical Chemistry A, Vol.125, No.1, 349-355, 2021
Quantum Dynamics of Rotational Energy Transfer Processes for N-2- HF and N-2-DF Systems
The rate coefficients of rotationally inelastic collision processes for N-2-HF as well as N-2-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 N-2 (j(1) = 2-10) by the ground rotational state of HF, j(1) = 6 and 5 have the maximum quenching rate for ortho-N-2 and para-N-2, respectively. Quenching rate coefficients for initially excited HF and DF (j(2) = 1) in collisions with N-2 were also reported, where N-2-DF has a larger quenching rate than N-2-HF due to larger density of states of the N-2-DF system.