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Title: Rotationally inelastic scattering of OH by molecular hydrogen: Theory and experiment

Abstract

We present an experimental and theoretical investigation of rotationally inelastic transitions of OH, prepared in the X{sup 2}Π, v = 0, j = 3/2 F{sub 1}f level, in collisions with molecular hydrogen (H{sub 2} and D{sub 2}). In a crossed beam experiment, the OH radicals were state selected and velocity tuned over the collision energy range 75–155 cm{sup −1} using a Stark decelerator. Relative parity-resolved state-to-state integral cross sections were determined for collisions with normal and para converted H{sub 2}. These cross sections, as well as previous OH–H{sub 2} measurements at 595 cm{sup −1} collision energy by Schreel and ter Meulen [J. Chem. Phys. 105, 4522 (1996)], and OH–D{sub 2} measurements for collision energies 100–500 cm{sup −1} by Kirste et al. [Phys. Rev. A 82, 042717 (2010)], were compared with the results of quantum scattering calculations using recently determined ab initio potential energy surfaces [Ma et al., J. Chem. Phys. 141, 174309 (2014)]. Good agreement between the experimental and computed relative cross sections was found, although some structure seen in the OH(j = 3/2 F{sub 1}f → j = 5/2 F{sub 1}e) + H{sub 2}(j = 0) cross section is not understood.

Authors:
;  [1]; ;  [2];  [1];  [3];  [1];  [4];  [5];  [5];  [6];  [7];  [8]
  1. Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin (Germany)
  2. Department of Chemistry, The Johns Hopkins University, Baltimore, Maryland 21218-2685 (United States)
  3. (France)
  4. (China)
  5. Department of Chemistry and Biochemistry, University of Maryland, College Park, Maryland 20742-2021 (United States)
  6. (United States)
  7. Molecular and Laser Physics, Institute for Molecules and Materials, Radboud University Nijmegen, Heyendaalseweg 135, 6265 AJ Nijmegen (Netherlands)
  8. Theoretical Chemistry, Institute for Molecules and Materials, Radboud University Nijmegen, Heyendaalseweg 135, 6265 AJ Nijmegen (Netherlands)
Publication Date:
OSTI Identifier:
22415873
Resource Type:
Journal Article
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 142; Journal Issue: 20; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-9606
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; COMPARATIVE EVALUATIONS; HYDROGEN; HYDROXYL RADICALS; INELASTIC SCATTERING; INTEGRAL CROSS SECTIONS; ION-MOLECULE COLLISIONS; PARITY; POTENTIAL ENERGY; SURFACES; VELOCITY

Citation Formats

Schewe, H. Christian, E-mail: schewe@fhi-berlin.mpg.de, Meijer, Gerard, Ma, Qianli, Dagdigian, Paul J., E-mail: pjdagdigian@jhu.edu, Vanhaecke, Nicolas, Laboratoire Aimé Cotton-UMR 9188 CNRS, Université Paris-Sud 11 and Ecole Normale Supérieure Cachan, 91405 Orsay, Wang, Xingan, Department of Chemical Physics, University of Science and Technology of China, Hefei 230026, Kłos, Jacek, Alexander, Millard H., Institute for Physical Science and Technology, University of Maryland, College Park, Maryland 20742-2021, Meerakker, Sebastiaan Y. T. van de, and Avoird, Ad van der, E-mail: A.vanderAvoird@theochem.ru.nl. Rotationally inelastic scattering of OH by molecular hydrogen: Theory and experiment. United States: N. p., 2015. Web. doi:10.1063/1.4921562.
Schewe, H. Christian, E-mail: schewe@fhi-berlin.mpg.de, Meijer, Gerard, Ma, Qianli, Dagdigian, Paul J., E-mail: pjdagdigian@jhu.edu, Vanhaecke, Nicolas, Laboratoire Aimé Cotton-UMR 9188 CNRS, Université Paris-Sud 11 and Ecole Normale Supérieure Cachan, 91405 Orsay, Wang, Xingan, Department of Chemical Physics, University of Science and Technology of China, Hefei 230026, Kłos, Jacek, Alexander, Millard H., Institute for Physical Science and Technology, University of Maryland, College Park, Maryland 20742-2021, Meerakker, Sebastiaan Y. T. van de, & Avoird, Ad van der, E-mail: A.vanderAvoird@theochem.ru.nl. Rotationally inelastic scattering of OH by molecular hydrogen: Theory and experiment. United States. doi:10.1063/1.4921562.
Schewe, H. Christian, E-mail: schewe@fhi-berlin.mpg.de, Meijer, Gerard, Ma, Qianli, Dagdigian, Paul J., E-mail: pjdagdigian@jhu.edu, Vanhaecke, Nicolas, Laboratoire Aimé Cotton-UMR 9188 CNRS, Université Paris-Sud 11 and Ecole Normale Supérieure Cachan, 91405 Orsay, Wang, Xingan, Department of Chemical Physics, University of Science and Technology of China, Hefei 230026, Kłos, Jacek, Alexander, Millard H., Institute for Physical Science and Technology, University of Maryland, College Park, Maryland 20742-2021, Meerakker, Sebastiaan Y. T. van de, and Avoird, Ad van der, E-mail: A.vanderAvoird@theochem.ru.nl. Thu . "Rotationally inelastic scattering of OH by molecular hydrogen: Theory and experiment". United States. doi:10.1063/1.4921562.
@article{osti_22415873,
title = {Rotationally inelastic scattering of OH by molecular hydrogen: Theory and experiment},
author = {Schewe, H. Christian, E-mail: schewe@fhi-berlin.mpg.de and Meijer, Gerard and Ma, Qianli and Dagdigian, Paul J., E-mail: pjdagdigian@jhu.edu and Vanhaecke, Nicolas and Laboratoire Aimé Cotton-UMR 9188 CNRS, Université Paris-Sud 11 and Ecole Normale Supérieure Cachan, 91405 Orsay and Wang, Xingan and Department of Chemical Physics, University of Science and Technology of China, Hefei 230026 and Kłos, Jacek and Alexander, Millard H. and Institute for Physical Science and Technology, University of Maryland, College Park, Maryland 20742-2021 and Meerakker, Sebastiaan Y. T. van de and Avoird, Ad van der, E-mail: A.vanderAvoird@theochem.ru.nl},
abstractNote = {We present an experimental and theoretical investigation of rotationally inelastic transitions of OH, prepared in the X{sup 2}Π, v = 0, j = 3/2 F{sub 1}f level, in collisions with molecular hydrogen (H{sub 2} and D{sub 2}). In a crossed beam experiment, the OH radicals were state selected and velocity tuned over the collision energy range 75–155 cm{sup −1} using a Stark decelerator. Relative parity-resolved state-to-state integral cross sections were determined for collisions with normal and para converted H{sub 2}. These cross sections, as well as previous OH–H{sub 2} measurements at 595 cm{sup −1} collision energy by Schreel and ter Meulen [J. Chem. Phys. 105, 4522 (1996)], and OH–D{sub 2} measurements for collision energies 100–500 cm{sup −1} by Kirste et al. [Phys. Rev. A 82, 042717 (2010)], were compared with the results of quantum scattering calculations using recently determined ab initio potential energy surfaces [Ma et al., J. Chem. Phys. 141, 174309 (2014)]. Good agreement between the experimental and computed relative cross sections was found, although some structure seen in the OH(j = 3/2 F{sub 1}f → j = 5/2 F{sub 1}e) + H{sub 2}(j = 0) cross section is not understood.},
doi = {10.1063/1.4921562},
journal = {Journal of Chemical Physics},
issn = {0021-9606},
number = 20,
volume = 142,
place = {United States},
year = {2015},
month = {5}
}