ABSTRACT The theoretical studies on the proton, hydrogen and charge transfer reactions in gas phase, carried out by direct ab-initio dynamics and quasi-classical trajectory calculations, have been reviewed. Especially, we focus our attention on the selectivity of vibrational and rotational states of products in the reactions. The reactions studied are X‾ + HY → HX(v,J) + Y‾ (where X,Y = O, F, Cl) for the proton transfer, A+ + BC → A + BC+ (v,J) for the charge transfer, and NH3+ + NH3 → NH4+ + NH2 for the proton and hydrogen atom transfers. In addition, the energy transfer reaction O(1D) + N2 → 0(3P) + N2(v,J) in ozone layer has been studied. The results are compared with recent experiments.
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