Quasi-classical trajectory study of the isotope effect on the stereodynamics in the reaction H(2S) + CH(X2Π; υ = 0, j = 1) → C(1D) + H2(X1Σg+)

The isotope effect on the stereodynamic properties in the title reaction is investigated by a quasi-classical trajectory (QCT) method on the 11A' potential energy surface at a collision energy of 23.06 kcal/mol. The angular distributions P(θr), P(r), P(θr,r), and the polarization-dependent generalized differential cross sections are calculated, which demonstrate the observable influences on the rotational polarization of the product by the isotopic substitution of H with D.