Abstract
The quantum dynamics of the C+CH reaction has been studied by means of time-dependent quantum wave packet calculation on 1A′ potential energy surface. Initial state-specific total reaction probabilities and integral cross section are calculated, and the rate constants obtained are in reasonably good agreement with experimental measurement. Although a deep well is present in the potential surface, no long-lived resonances are found from the dynamics calculation and the reaction proceeds by a direct mechanism, similar to that of O(1D)+H2 reaction. Stereodynamics study of the reaction is carried out by transforming the scattering result to stereodynamics (SD) representation at zero total angular momentum. The SD result shows that the C+CH reaction proceeds from almost all attack angles with a preference for attacking at the C side of CH (molecule or radical) by the carbon atom.
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