Abstract
The cross sections and rate constants of pure rotational and ro-vibrational inelastic collision processes for the D2 –HF system were investigated by employing the recently developed coupled-states approximation including the nearest neighbor Coriolis couplings, based on our newly constructed potential energy surface. The state-to-state cross sections and rate constants were found to follow the usual energy and angular momentum gap laws for pure rotational and ro-vibrational energy transfer processes. The calculated rate constant of 1.18 × 10-10 cm3 mol−1 s−1 for D2 (v1 =0) + HF(v2 =0, j2 =13) is very close to the experimental value of (1.2 ± 0.2) × 10-10 cm3 mol−1 s−1 . The calculated vibrational-resolved rate constants are in reasonably consistent to the available experimental results and follow the similar trend with temperature.
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