Author/Authors :
Alexander، نويسنده , , A.J. and Aoiz، نويسنده , , F.J. and Brouard، نويسنده , , M. and Simons، نويسنده , , J.P.، نويسنده ,
Abstract :
State-resolved integral and differential cross sections and product energy partitioning have been calculated for the reaction O(1D)+ HD(ν = 0, j = 0–1) → OH(OD) + D(H) by means of quasi-classical trajectory (QCT) calculations at a collision energy of 0.197 eV (19 kJ mol−1) using the potential energy surface of Schinke and Lester. The results indicate the dominance of an insertion mechanism producing HOD intermediates and reveal a strong dependence of the differential scattering cross section on the product quantum state. This dependence has been related to the product state-resolved opacity functions and the estimated lifetimes of the reactive collisional trajectories.