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Vibrational relaxation in atom exchange reactions: A classical trajectory study of H + H2(ν) and D + D2(ν) collisions using an accurate potential

✍ Scribed by Ian W.M. Smith

Publisher: Elsevier Science
Year: 1977
Tongue: English
Weight: 596 KB
Volume: 47
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(77)80005-5

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✦ Synopsis

A quasiciassieal tra&ctory study has been carried out to investigate the dynanlics of collisions between H f &(I G o C4) and D + Dz(l Q IJ is; 4), using the accurate Yates-Lester potential. Reaction is selectively enhanced by the vibrational excitation of the diitomic reagent, as judged by information theory, but the degree of selectivity ftis as the vibrationai enerp is successively increased. The caicufated results are in fair agreement with experimental measurement on the removal of H~(u = 1) by H but not with those for D-& = 1) by D.

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