Quasiclassical trajectory study of the effect of reactant rotation on the reaction B + + HD → BH + (BD +) + D(H)

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Quasiclassical trajectories were calculated for the lowest triplet potential energy surface of the title reaction at different rotational states of the HD molecule and at two values of the relative translational energy of reactants. The opacity function, reaction cross sections, rotational and vibrational excitation of products, intramolecular isotopic effect, symmetry of backward-forward scattering and lifetime of the BHD+ collision complex are discussed in connection with the initial conditions defined. Results are compared with similar systems taken from the literature.