Theoretical Study of the Stereodynamics of the Reaction C(³P)+CH(X²Π) and Its Isotopic Variants

Vector correlations between products and reagents of the reaction C+CH and the isotopic variant reactions are calculated by employing the quasi-classical trajectory method based on the adiabatically 1²A^'' double−many-body-expansion potential-energy surface computed and numerically fitted by Boggio-Pasqua et al. The normalized polarization-dependent differential cross-sections and the distributions of P(θ_r), P(φ_r) and P(θ_r,φ_r) at the selected collision energy are discussed in detail. The values of the product rotational alignment parameter 〈P₂ (j'⋅k)〉 are also calculated and plotted as functions of the collision energy in the range 0.005–0.5 eV. The computed results show that the rotational polarizations of the product present pronounced different characters as the mass substituted atom increasing.