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Non-adiabatic dynamics in collisions of sodium and chlorine atoms and their ions
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.ORCID iD: 0000-0003-1619-3583
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.ORCID iD: 0000-0002-7629-0169
Faculty of Mathematics and Physics, Charles University, Ke Karlovu 3, 121 16 Prague 2, Prague, Czech Republic.ORCID iD: 0000-0002-6281-7599
2022 (English)In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 24, no 41, p. 25250-25257Article in journal (Refereed) Published
Abstract [en]

Collisions of sodium and chlorine atoms and of their ions are studied within the diabatic two-state picture at energies below and above the ionic threshold with focus on the processes of radiative association, chemiionisation, and mutual neutralisation. The radiative-association cross sections as functions of collision energy are calculated up to 4.6 eV in the case of neutral atoms and up to 3.12 eV in the case of ions. The non-radiative charge-exchange cross sections as functions of collision energy are calculated up to 12 eV for chemiionisation and up to 10.52 eV for mutual neutralisation. The corresponding radiative-association rate coefficients are then determined up to 5300 K for the radiative association of neutral atoms and non-radiative charge-exchange and up to 3615 K for the radiative association of ions. Contribution of many Fano–Feshbach-type resonances is included to the rate coefficient of neutral-atom radiative association. The chemiionisation rate coefficients were calculated from 1000 K to 5300 K. The process of mutual neutralisation exhibits the largest cross sections and also the largest rate coefficients with values around 10−9 cm3 s−1 at all calculated temperatures, 120–5300 K.

Place, publisher, year, edition, pages
Royal Society of Chemistry, 2022. Vol. 24, no 41, p. 25250-25257
National Category
Atom and Molecular Physics and Optics
Research subject
Applied Physics
Identifiers
URN: urn:nbn:se:ltu:diva-93782DOI: 10.1039/d2cp03361eISI: 000866002500001PubMedID: 36222237Scopus ID: 2-s2.0-85140833548OAI: oai:DiVA.org:ltu-93782DiVA, id: diva2:1707735
Funder
Swedish Research Council, SNIC 2022/5-324Swedish Research Council, SNIC 2021/5-341The Royal Swedish Academy of Sciences, AST2020-0010The Kempe Foundations, SMK-2045
Note

Validerad;2022;Nivå 2;2022-11-01 (johcin)

Available from: 2022-11-01 Created: 2022-11-01 Last updated: 2022-11-15Bibliographically approved

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Šimsová née Zámečníková, MartinaGustafsson, Magnus

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