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Quasi‐Classical Trajectory Studies of H + HX → H 2 + X (X = Cl, Br, I) Reaction at High Collision Energy
Author(s) -
Aker Pamela M.,
Valentini James J.
Publication year - 1990
Publication title -
israel journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.908
H-Index - 54
eISSN - 1869-5868
pISSN - 0021-2148
DOI - 10.1002/ijch.199000016
Subject(s) - chemistry , collision , atom (system on chip) , atomic physics , trajectory , scattering , hot atom , product (mathematics) , physics , quantum mechanics , geometry , computer security , mathematics , computer science , embedded system
Quasi‐classical trajectory calculations have been performed to investigate the dynamics of the H + HX → H 2 + X reactions, where X = Cl, Br, and I. Calculations were performed for two collision energies, 16 and 36 kcal mol −1 . The results show that the dynamics of the abstraction reactions at these high collision energies are rather unusual. The product energy and angular distributions can be accounted for by a mechanism that involves an isolated interaction between the two H atoms in the system to form H 2 followed by hard‐sphere scattering of this newly formed H 2 off the X atom.