The dynamics of the H+D2O→OD+HD reaction at 2.5 eV: Experiment and theory

M. Brouard; I. Burak; D. Minayev; P. O'Keeffe; C. Vallance; F. J. Aoiz; L. Bañares; J. F. Castillo; Dong H. Zhang; Michael A. Collins

doi:10.1063/1.1528896

The dynamics of the H+D₂O→OD+HD reaction at 2.5 eV: Experiment and theory

M. Brouard^*
, I. Burak
, D. Minayev
, P. O'Keeffe
, C. Vallance
, F. J. Aoiz
, L. Bañares
, J. F. Castillo
, Dong H. Zhang
, Michael A. Collins

^*Corresponding author for this work

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

21 Citations (Scopus)

Abstract

Fully quantum state-resolved OD angular scattering and kinetic energy release distributions for the hot H atom reaction with D₂O at a mean collision energy of 2.48 eV are presented. In addition, OD quantum state population distributions and rotational alignment parameters as well as quantum state-averaged internal energy disposals are reported under the same conditions. The experimental data provide a stringent test for quasi-classical trajectory (QCT) scattering calculations, and of the potential energy surfaces they employ.

Original language	English
Pages (from-to)	1162-1174
Number of pages	13
Journal	Journal of Chemical Physics
Volume	118
Issue number	3
DOIs	https://doi.org/10.1063/1.1528896
Publication status	Published - 15 Jan 2003

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abstract = "Fully quantum state-resolved OD angular scattering and kinetic energy release distributions for the hot H atom reaction with D2O at a mean collision energy of 2.48 eV are presented. In addition, OD quantum state population distributions and rotational alignment parameters as well as quantum state-averaged internal energy disposals are reported under the same conditions. The experimental data provide a stringent test for quasi-classical trajectory (QCT) scattering calculations, and of the potential energy surfaces they employ.",

author = "M. Brouard and I. Burak and D. Minayev and P. O'Keeffe and C. Vallance and Aoiz, \{F. J.\} and L. Ba{\~n}ares and Castillo, \{J. F.\} and Zhang, \{Dong H.\} and Collins, \{Michael A.\}",

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doi = "10.1063/1.1528896",

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T1 - The dynamics of the H+D2O→OD+HD reaction at 2.5 eV

T2 - Experiment and theory

AU - Brouard, M.

AU - Burak, I.

AU - Minayev, D.

AU - O'Keeffe, P.

AU - Vallance, C.

AU - Aoiz, F. J.

AU - Bañares, L.

AU - Castillo, J. F.

AU - Zhang, Dong H.

AU - Collins, Michael A.

PY - 2003/1/15

Y1 - 2003/1/15

N2 - Fully quantum state-resolved OD angular scattering and kinetic energy release distributions for the hot H atom reaction with D2O at a mean collision energy of 2.48 eV are presented. In addition, OD quantum state population distributions and rotational alignment parameters as well as quantum state-averaged internal energy disposals are reported under the same conditions. The experimental data provide a stringent test for quasi-classical trajectory (QCT) scattering calculations, and of the potential energy surfaces they employ.

AB - Fully quantum state-resolved OD angular scattering and kinetic energy release distributions for the hot H atom reaction with D2O at a mean collision energy of 2.48 eV are presented. In addition, OD quantum state population distributions and rotational alignment parameters as well as quantum state-averaged internal energy disposals are reported under the same conditions. The experimental data provide a stringent test for quasi-classical trajectory (QCT) scattering calculations, and of the potential energy surfaces they employ.

UR - https://www.scopus.com/pages/publications/0037439716

U2 - 10.1063/1.1528896

DO - 10.1063/1.1528896

M3 - Article

SN - 0021-9606

VL - 118

SP - 1162

EP - 1174

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 3

ER -

The dynamics of the H+D₂O→OD+HD reaction at 2.5 eV: Experiment and theory

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