Reagent Vibration Effect on the Stereodynamics for the C+CD→C2+D Reaction

Abstract

We study the effect of the reagent vibration of the CD on the stereodynamics of the C + CD → C2 + D reaction by using the quasi-classical trajectory method at a collision energy of 2.306 kcal/mol on the potential energy surface of the 12A′ state [Boggio-Pasqua et al. Mol. Phys. 98 (2000) 1925]. The vector correlation distributions p(θr) and the dihedral-angle distribution p(φr) as well as p(θr, φr) are calculated. In addition, two polarization-dependent generalized differential cross sections of the product are presented and discussed within a center-of-mass framework. The results show that the effect of reagent vibration can cause obviously different effects on the stereodynamics of the title reaction.