Isotope Effects in Abstraction and Exchange Reactions H + H'Br

J W Hepburn, D Klimek, K Liu, R G Macdonald, H R Mayne, Fredrick J Northrup, J C Polanyi

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4 Scopus citations

Abstract

A preliminary report is given of relative reactive cross sections for four abstraction reactions H + H′Br ← HH′ + Br with attacking atom (A) H or D, and atom under attack (B) H or D. The pattern of reactive cross sections, as obtained in a crossed molecular beam experiment at a collision energy ET = 7 kcal/mol, indicates Sr(D,H) ≤ Sr(D,D) > Sr(H,H) > Sr(H,D). The atoms in parentheses are A and B. We describe a three-dimensional classical trajectory (CT) study on a potential-energy surface proposed in 1969 by Parr and Kuppermann (PK); the CT results are in fair accord with experiment. It is suggested that (D,H) has the largest cross section because it exhibits the most favorable relative timing of A approach to BC rotation. On the basis of CT it appears that the same sequence of cross sections and the same rationale may be applied to the exchange reactions H + BrH′ ← HBr + H′.
Original languageEnglish
Pages (from-to)845-854
JournalInternational Journal of Chemical Kinetics
Volume13
StatePublished - 1981

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