Abstract
We present calculations on reactions of the type X + CZ3Y → XY + CZ3 using a reduced-dimensionality model with two degrees of freedom. Only the Y−C vibrational mode ν1 of CZ3Y and the stretching vibration of X−Y are treated explicitly in the scattering problem. An approximation accounting for the umbrella ν2 mode of CZ3 has been introduced. A direct comparison with previous calculations of state-selected reaction cross sections is made on the reactions O(3P) + CH4 → OH + CH3 and O(3P) + CH3D → OD + CH3. The results show that the approximation applied, in which the umbrella mode is not accounted for explicitly in the scattering calculations, gives good results for some vibrationally selected reaction cross sections. In agreement with previous results, we find that the umbrella mode is more efficient in promoting the O(3P) + CH4 → OH + CH3 reaction and that the stretching vibration enhances the O(3P) + CH3D → OD + CH3 reaction.
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