State-to-state cross sections and rate coefficients for transitions between rotational/fine-structure levels of OH(X2Π) induced by collisions with atomic hydrogen are reported in this work. The scattering calculations take into account the full open-shell character of the OH + H system and include the four potential energy surfaces (1A′, 1A″, 3A′, 3A″) that correlate with the OH(X2Π) + H(2S) asymptote. Three of these surfaces are repulsive, while the deep H2O well is present on one surface (1A′). The OH + H potential energy curves calculated by Alexander et al. [J. Chem. Phys. 121, 5221 (2004)] are employed in this work. Time independent quantum scattering calculations were performed using the quantum statistical method of Rackham and co-workers [Chem. Phys. Lett. 343, 356 (2001)] because of the presence of the deep H2O well. The computed cross sections include contributions from direct scattering, as well formation and decay of a transient collision complex since the transient HO–H complex is expected to decay nonreactively. Rate coefficients for OH–H inelastic collisions are of interest for astrophysical applications.
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14 September 2022
Research Article|
September 13 2022
Theoretical investigation of rotationally inelastic collisions of OH(X2Π) with hydrogen atoms Available to Purchase
Paul J. Dagdigian
Paul J. Dagdigian
a)
(Methodology, Software, Writing – original draft)
Department of Chemistry, The Johns Hopkins University
, Baltimore, Maryland 21218-2685, USA
a)Author to whom correspondence should be addressed: [email protected]
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Paul J. Dagdigian
a)
Department of Chemistry, The Johns Hopkins University
, Baltimore, Maryland 21218-2685, USA
a)Author to whom correspondence should be addressed: [email protected]
J. Chem. Phys. 157, 104305 (2022)
Article history
Received:
July 16 2022
Accepted:
August 17 2022
Citation
Paul J. Dagdigian; Theoretical investigation of rotationally inelastic collisions of OH(X2Π) with hydrogen atoms. J. Chem. Phys. 14 September 2022; 157 (10): 104305. https://doi.org/10.1063/5.0110724
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