Low-energy dissociative recombination of OH+

Dissociative recombination of the OH+ ion with free electrons is modeled theoretically using a recently developed approach that is based on first-principles calculations and multichannel quantum defect theory. The coupling between the incident electron and the rovibrational motion of the ion is accounted for. The cross section of the process at collision energies 10-6-1 eV and the thermally averaged rate coefficient at 10-1000 K are evaluated. The obtained anisotropic rate coefficients agree well with the data from a recent experiment carried out at the Cryogenic Storage Ring, especially when compared to previous theoretical values, which are smaller than the experimental results by about a factor of about 30.

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Publication Details

Journal
The Journal of Chemical Physics
Published
2025-05-05
DOI
https://doi.org/10.1063/5.0261887
Primary Topic
Advanced Chemical Physics Studies
Type
article
Field-Weighted Citation Impact
0.00

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article

Low-energy dissociative recombination of OH+

Dávid Hvizdoš, Chris H. Greene, Joshua Forer, Viatcheslav Kokoouline
The Journal of Chemical Physics
Advanced Chemical Physics Studies
article

Low-energy dissociative recombination of OH+

Dávid Hvizdoš, Chris H. Greene, Joshua Forer, Viatcheslav Kokoouline
article en

Abstract

Dissociative recombination of the OH+ ion with free electrons is modeled theoretically using a recently developed approach that is based on first-principles calculations and multichannel quantum defect theory. The coupling between the incident electron and the rovibrational motion of the ion is accounted for. The cross section of the process at collision energies 10-6-1 eV and the thermally averaged rate coefficient at 10-1000 K are evaluated. The obtained anisotropic rate coefficients agree well with the data from a recent experiment carried out at the Cryogenic Storage Ring, especially when compared to previous theoretical values, which are smaller than the experimental results by about a factor of about 30.

The Journal of Chemical PhysicsVol. 162(17)
University of Central Florida (US), Centre National de la Recherche Scientifique (FR), Université Le Havre Normandie (FR), Purdue University West Lafayette (US), Laboratoire Ondes et Milieux Complexes (FR), Columbia University (US)
National Science Foundation, U.S. Department of Energy
Affordable and clean energy
Openalex Percentile: Top 93%
Advanced Chemical Physics Studies
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