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Three-dimensional quantum mechanical study of exothermic reactive systems (F+H2; Ar + H+2) employing negative imaginary arrangement decoupling potentials

✍ Scribed by M. Gilibert; I. Last; A. Baram; M. Baer

Publisher: Elsevier Science
Year: 1994
Tongue: English
Weight: 487 KB
Volume: 221
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(94)00248-7

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✦ Synopsis

In this work we consider two highly exothermic systems, F+Hz( u=O, j)+HF( v', j') +H and Ar+H: (u=O, j) + ArH + ( n', j') + H. Reactive probabilities were calculated for J= 0 only. The main findings are: (a) The F + Hz system is charao terized by forming products with inverted vibrational distribution. In the case of Ar+ Hz the product vibrational distribution is even. (b) The initial rotational quantum number j has a strong effect on the reactivity; in both cases the reaction probabilities drop significantly as j increases.

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