The effect of collision energy on the stereodynamics of the reaction triatomic NH2 system

The stereodynamics of the reaction H(S-2) + NH (v = 0, 1, 2, 3; j = 0) -> N(S-4) + H-2 are studied using the quasi-classical trajectory method on a double many-body expansion potential energy surface to understand the alignment and orientation of the product molecules in the collision energy range of 2-20 kcal center dot mol(-1). The vibrational-rotational quantum number of the NH molecules is specifically investigated for v = 0, 1, 2, and 3 and j = 0. The differential cross section [DCS; ], and average rotational alignment factor are calculated. The stereodynamics results indicate that the reagent vibrational quantum number and initial collision energy significantly affect the distributions of the k-j ', k-k '-j ' and k-k ' vector correlations along with In addition, while DCS is extremely sensitive to the collision energy, it is not significantly affected by the vibrational excitation of the reagents.