Product state-resolved stereodynamics: Quasiclassical study of the reaction O(D-1)+HD->OH(OD) (v', j')+D(H)

A J Alexander, F J Aoiz, M Brouard, J P Simons

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Abstract / Description of output

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 languageEnglish
Pages (from-to)561-568
Number of pages8
JournalChemical Physics Letters
Volume256
Issue number6
Publication statusPublished - 12 Jul 1996

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