Theoretical Studies of O(¹D)+HD (v=0, j=0, 1, 2, 3)→OD(H)+H(D) Reaction

The quasi-classical trajectory calculation for the reaction O(¹D)+HD is carried out based on the Dobbyn and Knowles potential energy surface. In this work, the reaction cross section and product branching ratio are obtained. The product branching ratio OD/OH was discussed. The calculated results show that the cross-section decreases thoroughly with the increasing of the collision energy from 4.6 kJ/mol to 46.0 kJ/mol. The average branching ratio decrease with the increase of rotational quantum number of reactant HD.