C+(2P)+H2(D2,HD)→CH+(CD+)+H(D). II. Statistical phase space theory

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Abstract
Statistical phase space theory is applied to the reactions of carbon(1+)ions with isotopic molecular hydrogen (H2, D2, and HD) to form methyliumylidene (CH+ and CD+). Reaction cross sections and isotope effects as a function of kinetic energy are compared to recent experimental results. The important features of the potential energy surfaces for the C+(2P)+H system are reviewed. The treatment of multiple electronic potential energy surfaces and excited state product channels in phase space theory is discussed. Phase space theory accurately reproduces the relative behavior of the experimental cross sections in the threshold region. Also, the cross section magnitude is reproduced if only those potential energy surfaces without energy barriers in the entrance channel are included in the phase space model. Phase space theory fails, however, to predict quantitatively the kinetic isotope effects or the shape of the cross section at higher energies where excited state CH+ production may be important.