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 Scopus citations

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
State	Published - 15 Jan 2003
Externally published	Yes

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

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.",

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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.

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

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