Reaction dynamics of O(1D) + HD. I. the insertion pathway

Yen Tsung Hsu; Kopin Liu; Lisa A. Pederson; George C. Schatz

doi:10.1063/1.480127

Reaction dynamics of O(¹D) + HD. I. the insertion pathway

Yen Tsung Hsu, Kopin Liu^*, Lisa A. Pederson, George C. Schatz

^*Corresponding author for this work

Chemistry

Research output: Contribution to journal › Article › peer-review

67 Scopus citations

Abstract

The doubly differential cross sections (angle and speed) for the reactions O(¹D) + HD→OH(OD) + D(H) at E_c=2.05 kcal/mol were directly mapped out using the Doppler-selected time-of-flight technique in a crossed-beam experiment. Except for the previously noted discrepancy in the H/D isotope branching ratio, good agreement with QCT (quasiclassical trajectory) results on a high quality ab initio surface are found for all dynamical features, including the product angular and translational energy distributions and the very detailed angle-specific translational energy release.

Original language	English (US)
Pages (from-to)	7921-7930
Number of pages	10
Journal	Journal of Chemical Physics
Volume	111
Issue number	17
DOIs	https://doi.org/10.1063/1.480127
State	Published - Nov 1 1999

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.480127

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title = "Reaction dynamics of O(1D) + HD. I. the insertion pathway",

abstract = "The doubly differential cross sections (angle and speed) for the reactions O(1D) + HD→OH(OD) + D(H) at Ec=2.05 kcal/mol were directly mapped out using the Doppler-selected time-of-flight technique in a crossed-beam experiment. Except for the previously noted discrepancy in the H/D isotope branching ratio, good agreement with QCT (quasiclassical trajectory) results on a high quality ab initio surface are found for all dynamical features, including the product angular and translational energy distributions and the very detailed angle-specific translational energy release.",

author = "Hsu, {Yen Tsung} and Kopin Liu and Pederson, {Lisa A.} and Schatz, {George C.}",

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AU - Hsu, Yen Tsung

AU - Liu, Kopin

AU - Pederson, Lisa A.

AU - Schatz, George C.

PY - 1999/11/1

Y1 - 1999/11/1

N2 - The doubly differential cross sections (angle and speed) for the reactions O(1D) + HD→OH(OD) + D(H) at Ec=2.05 kcal/mol were directly mapped out using the Doppler-selected time-of-flight technique in a crossed-beam experiment. Except for the previously noted discrepancy in the H/D isotope branching ratio, good agreement with QCT (quasiclassical trajectory) results on a high quality ab initio surface are found for all dynamical features, including the product angular and translational energy distributions and the very detailed angle-specific translational energy release.

AB - The doubly differential cross sections (angle and speed) for the reactions O(1D) + HD→OH(OD) + D(H) at Ec=2.05 kcal/mol were directly mapped out using the Doppler-selected time-of-flight technique in a crossed-beam experiment. Except for the previously noted discrepancy in the H/D isotope branching ratio, good agreement with QCT (quasiclassical trajectory) results on a high quality ab initio surface are found for all dynamical features, including the product angular and translational energy distributions and the very detailed angle-specific translational energy release.

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Reaction dynamics of O(¹D) + HD. I. the insertion pathway

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