Unusual mechanisms can dominate reactions at hyperthermal energies

An example from O(3P) + HCl → ClO + H

Jianming Zhang, Jon P. Camden, Amy L. Brunsvold, Hari P. Upadhyaya, Timothy K. Minton, George C Schatz

Research output: Contribution to journalArticle

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Abstract

An unusual mechanism in the reaction, O(3P) + HCl → ClO + H, dominates at hyperthermal collision energies. This mechanism applies to collision geometries in which the H atom in the HCl molecule is oriented toward the reagent O atom. As the Cl-O bond forms, the H atom experiences a strong repulsive force from both the O and Cl atoms. The ClO product scatters forward with respect to the initial velocity of the O atom, and the H atom scatters backward. This mechanism accounts for more than half the reactive trajectories at energies >110 kcal mol-1, but it does not involve motion near the minimum energy path, which favors an SN2-like reaction mechanism where the H atom is oriented away from the reagent O atom during the collision.

Original languageEnglish
Pages (from-to)8896-8897
Number of pages2
JournalJournal of the American Chemical Society
Volume130
Issue number28
DOIs
Publication statusPublished - Jul 16 2008

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Unusual mechanisms can dominate reactions at hyperthermal energies : An example from O(3P) + HCl → ClO + H. / Zhang, Jianming; Camden, Jon P.; Brunsvold, Amy L.; Upadhyaya, Hari P.; Minton, Timothy K.; Schatz, George C.

In: Journal of the American Chemical Society, Vol. 130, No. 28, 16.07.2008, p. 8896-8897.

Research output: Contribution to journalArticle

Zhang, Jianming ; Camden, Jon P. ; Brunsvold, Amy L. ; Upadhyaya, Hari P. ; Minton, Timothy K. ; Schatz, George C. / Unusual mechanisms can dominate reactions at hyperthermal energies : An example from O(3P) + HCl → ClO + H. In: Journal of the American Chemical Society. 2008 ; Vol. 130, No. 28. pp. 8896-8897.
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