A quasiclassical trajectory study of bond specific chemistry in the reaction H+HOD→H2+OD, HD+OH

Kathleen Kudla; George C Schatz

doi:10.1016/0009-2614(92)85840-7

A quasiclassical trajectory study of bond specific chemistry in the reaction H+HOD→H₂+OD, HD+OH

Kathleen Kudla, George C Schatz^*

^*Corresponding author for this work

Chemistry

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

48 Scopus citations

Abstract

We present a quasiclassical trajectory study of H+HOD(ν₁, ν₂, ν₃) with an emphasis on how the reaction cross section and the branching between OH and OD products varies with the initial vibrational state of HOD and with relative translational energy. Comparison of the results for initial states (100) and (001) with recent measurements by Zare and co-workers, and for the 4ν_OH overtone with recent measurements by Crim and co-workers indicates good qualitative agreement.

Original language	English (US)
Pages (from-to)	507-511
Number of pages	5
Journal	Chemical Physics Letters
Volume	193
Issue number	6
DOIs	https://doi.org/10.1016/0009-2614(92)85840-7
State	Published - Jun 12 1992

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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abstract = "We present a quasiclassical trajectory study of H+HOD(ν1, ν2, ν3) with an emphasis on how the reaction cross section and the branching between OH and OD products varies with the initial vibrational state of HOD and with relative translational energy. Comparison of the results for initial states (100) and (001) with recent measurements by Zare and co-workers, and for the 4νOH overtone with recent measurements by Crim and co-workers indicates good qualitative agreement.",

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AU - Schatz, George C

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N2 - We present a quasiclassical trajectory study of H+HOD(ν1, ν2, ν3) with an emphasis on how the reaction cross section and the branching between OH and OD products varies with the initial vibrational state of HOD and with relative translational energy. Comparison of the results for initial states (100) and (001) with recent measurements by Zare and co-workers, and for the 4νOH overtone with recent measurements by Crim and co-workers indicates good qualitative agreement.

AB - We present a quasiclassical trajectory study of H+HOD(ν1, ν2, ν3) with an emphasis on how the reaction cross section and the branching between OH and OD products varies with the initial vibrational state of HOD and with relative translational energy. Comparison of the results for initial states (100) and (001) with recent measurements by Zare and co-workers, and for the 4νOH overtone with recent measurements by Crim and co-workers indicates good qualitative agreement.

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A quasiclassical trajectory study of bond specific chemistry in the reaction H+HOD→H₂+OD, HD+OH

Abstract

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