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Line shape parameters of the first pure rotational R lines of CO in H2 baths down to a few kelvins
Univ Rennes, CNRS, IPR (Institut de Physique de Rennes)-UMR 6251, F-35000 Rennes, France.ORCID iD: 0000-0002-1279-8588
Univ Rennes, CNRS, IPR (Institut de Physique de Rennes)-UMR 6251, F-35000 Rennes, France.ORCID iD: 0000-0003-2520-7502
Univ Rennes, CNRS, IPR (Institut de Physique de Rennes)-UMR 6251, F-35000 Rennes, France.ORCID iD: 0000-0003-0066-3376
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.ORCID iD: 0000-0002-7629-0169
2025 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 163, no 13, article id 134303Article in journal (Refereed) Published
Abstract [en]

Line shape parameters of the first pure rotational R(j = 0 − 4) lines of carbon monoxide in hydrogen baths, between 1 and 500 K, have been calculated using the close coupling method. The theoretical thermally averaged collisional widths and shifts between 30 and 500 K agree well with the values reported in the literature. However, below this temperature range, we confirm the long-standing substantial disagreement between experimental and theoretical values for the R(0) and R(1) lines. In addition to the usual collisional widths and shifts, we provide the complex optical frequency of the velocity-changing collisions. We also study the speed dependence of the line shape parameters and investigate their double power law temperature representation. We conclude that beyond-Voigt effects, including the collision duration, cannot reconcile theory and experiments at low temperatures.

Place, publisher, year, edition, pages
American Institute of Physics , 2025. Vol. 163, no 13, article id 134303
National Category
Astronomy, Astrophysics and Cosmology
Research subject
Applied Physics
Identifiers
URN: urn:nbn:se:ltu:diva-115109DOI: 10.1063/5.0287396ISI: 001586684800009PubMedID: 41036791Scopus ID: 2-s2.0-105017638606OAI: oai:DiVA.org:ltu-115109DiVA, id: diva2:2006464
Note

Validerad;2025;Nivå 2;2025-10-14 (u8);

Available from: 2025-10-14 Created: 2025-10-14 Last updated: 2025-11-28Bibliographically approved

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Gustafsson, Magnus

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