Theoretical study of stereodynamics for the reaction O(³P) +D₂ (v=0, j=0) \to OD+D and isotope effect

Quasi-classical trajectory (QCT) calculations have been performed to study the product polarization behaviours in the reaction \rm O( ^3P) + D_2 (v = 0, j = 0) \to OD + D. By running trajectories on the ^3A^\prime and ^3A'' potential energy surfaces (PESs), vector correlations such as the distributions of the polarization-dependent differential cross sections (PDDCSs), the angular distributions of P(\theta _r ) and P(\phi _r ) are presented. Isotope effect is discussed in this work by a comprehensive comparison with the reaction \rm O( ^3P) + H_2 (v = 0, j = 0) \to H + H. Common characteristics as well as differences are discussed in product alignment and orientation for the two reactions. The isotope mass effect differs on the two potential energy surfaces: the isotope mass effect has stronger influence on P(\theta _r ) and PDDCSs of the ^3A^\prime PES while the opposite on P(\phi _r ) of the ^3A'' potential energy surface.