Abstract
State-resolved integral and differential cross sections and product energy partitioning have been calculated for the reaction O(D-1) + HD(v = 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.
| Original language | English |
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| Pages (from-to) | 561-568 |
| Number of pages | 8 |
| Journal | Chemical Physics Letters |
| Volume | 256 |
| Issue number | 6 |
| Publication status | Published - 12 Jul 1996 |