A Theoretical Study of the Astrochemical 13C12CS + H → 12C13CS + H Reaction

Abstract : A quantitative ab initio study of the carbon isotope-exchange reaction 13C12CS + H → 12C13CS + H was performed at the RCCSD(T)/aug-cc-pVQZ//M06–2X/aug-cc-pVTZ level of theory, revealing that this reaction is barrier-less. This result validates the chemical hypothesis of Furuya et al., who suggested this reaction to be responsible for the 12C13CS/13C12CS isotopomer ratio observed to be higher than unity in cold interstellar clouds.
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https://hal.archives-ouvertes.fr/hal-01699467
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Soumis le : vendredi 2 février 2018 - 13:36:24
Dernière modification le : jeudi 26 avril 2018 - 14:20:03

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Dahbia Talbi. A Theoretical Study of the Astrochemical 13C12CS + H → 12C13CS + H Reaction. Australian Journal of Chemistry, CSIRO Publishing, 2018, 〈10.1071/CH17582〉. 〈hal-01699467〉

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