Isotope effects in the photofragmentation of symmetric molecules: The branching ratio of OD/OH in water

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Abstract

With HOD initially in its vibrational ground state, we present a new detailed interpretation of the OD/OH branching ratio (similar to 3) in the photoinduced process D+OH H+OD, in the first absorption band. Using semiclassical arguments, we show that the branching ratio has little to do with the initial distribution of configurations, but the initial momentum distribution plays a key role in determination of the branching ratio. The formation of D+OH arises from initial situations where OD is stretching, and it stretches faster than OH, whereas all other motions lead to H+OD. This picture is confirmed by quantum wave-packet calculations. (c) 2005 American Institute of Physics.
Original languageEnglish
JournalJournal of Chemical Physics
Volume122
Issue number20
Pages (from-to)204320
ISSN0021-9606
DOIs
Publication statusPublished - 2005

Bibliographical note

Copyright (2005) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.

Cite this

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title = "Isotope effects in the photofragmentation of symmetric molecules: The branching ratio of OD/OH in water",
abstract = "With HOD initially in its vibrational ground state, we present a new detailed interpretation of the OD/OH branching ratio (similar to 3) in the photoinduced process D+OH H+OD, in the first absorption band. Using semiclassical arguments, we show that the branching ratio has little to do with the initial distribution of configurations, but the initial momentum distribution plays a key role in determination of the branching ratio. The formation of D+OH arises from initial situations where OD is stretching, and it stretches faster than OH, whereas all other motions lead to H+OD. This picture is confirmed by quantum wave-packet calculations. (c) 2005 American Institute of Physics.",
author = "Henriksen, {Niels Engholm} and M{\o}ller, {Klaus Braagaard} and Volker Engel",
note = "Copyright (2005) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.",
year = "2005",
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language = "English",
volume = "122",
pages = "204320",
journal = "Journal of Chemical Physics",
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Isotope effects in the photofragmentation of symmetric molecules: The branching ratio of OD/OH in water. / Henriksen, Niels Engholm; Møller, Klaus Braagaard; Engel, Volker.

In: Journal of Chemical Physics, Vol. 122, No. 20, 2005, p. 204320.

Research output: Contribution to journalJournal articleResearchpeer-review

TY - JOUR

T1 - Isotope effects in the photofragmentation of symmetric molecules: The branching ratio of OD/OH in water

AU - Henriksen, Niels Engholm

AU - Møller, Klaus Braagaard

AU - Engel, Volker

N1 - Copyright (2005) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.

PY - 2005

Y1 - 2005

N2 - With HOD initially in its vibrational ground state, we present a new detailed interpretation of the OD/OH branching ratio (similar to 3) in the photoinduced process D+OH H+OD, in the first absorption band. Using semiclassical arguments, we show that the branching ratio has little to do with the initial distribution of configurations, but the initial momentum distribution plays a key role in determination of the branching ratio. The formation of D+OH arises from initial situations where OD is stretching, and it stretches faster than OH, whereas all other motions lead to H+OD. This picture is confirmed by quantum wave-packet calculations. (c) 2005 American Institute of Physics.

AB - With HOD initially in its vibrational ground state, we present a new detailed interpretation of the OD/OH branching ratio (similar to 3) in the photoinduced process D+OH H+OD, in the first absorption band. Using semiclassical arguments, we show that the branching ratio has little to do with the initial distribution of configurations, but the initial momentum distribution plays a key role in determination of the branching ratio. The formation of D+OH arises from initial situations where OD is stretching, and it stretches faster than OH, whereas all other motions lead to H+OD. This picture is confirmed by quantum wave-packet calculations. (c) 2005 American Institute of Physics.

U2 - 10.1063/1.1924409

DO - 10.1063/1.1924409

M3 - Journal article

VL - 122

SP - 204320

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 20

ER -