Quasi‐Classical Trajectory Studies of H + HX → H 2  + X (X = Cl, Br, I) Reaction at High Collision Energy | Zendy

Aker Pamela M. | Zendy; Valentini James J. | Zendy

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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.

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