Abstract
A new potential energy surface (PES) that describes the interacton of H + with a highly polar target, the HF molecular kept at its equilibrium geometry, is here presented and employed to generate the rotational energy transfer cross sections (integral and differential) over a range of collision energies that overlap with the existing data from molecular beams experiments. A similar PES that was previously computed for a linear polyatomic target interacting with protons (CO 2−H +) is also discussed and its general features are compared with those found for the H +−HF interaction. A detailed study of individual inelastic cross sections, computed for both systems within the sudden approximation (IOS) of the dynamics, indicates large differences in the efficiency of the rotational energy transfer process in the two cases examined here and relates specific structural features of the corresponding interactions to the found dynamical outcomes. The general computed results are also in accord with the experimental results available in the literature.
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