Oscillating reactivity and resonances in the three-dimensional Cl+HCl reaction

George C Schatz

doi:10.1016/0009-2614(88)85158-3

Oscillating reactivity and resonances in the three-dimensional Cl+HCl reaction

George C Schatz

Northwestern University

Research output: Contribution to journal › Article

49 Citations (Scopus)

Abstract

A hyperspherical reactive scattering program is used to calculate J = 0 reaction probabilities for Cl + HCl. The results for a "tight bend" LEPS potential surface show oscillating reactivity and at least one narrow resonance (perhaps three), while results for a "loose bend" LEPS potential show no oscillating reactivity, and several broad peaks that correlate with rotationally adiabatic thresholds. Narrow resonance-like structure is also observed on the "loose bend' surface, with energies and widths that are similar to those on the "tight bend" surface.

Original language	English
Pages (from-to)	409-414
Number of pages	6
Journal	Chemical Physics Letters
Volume	151
Issue number	4-5
DOIs	https://doi.org/10.1016/0009-2614(88)85158-3
Publication status	Published - Oct 21 1988

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ASJC Scopus subject areas

Physical and Theoretical Chemistry
Spectroscopy
Condensed Matter Physics
Atomic and Molecular Physics, and Optics
Surfaces and Interfaces

Cite this

Schatz, G. C. (1988). Oscillating reactivity and resonances in the three-dimensional Cl+HCl reaction. Chemical Physics Letters, 151(4-5), 409-414. https://doi.org/10.1016/0009-2614(88)85158-3

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10.1016/0009-2614(88)85158-3