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

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
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 142; Journal Issue: 20; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
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