A Theoretical Study of the Astrochemical 13C12CS + H → 12C13CS + H Reaction
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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.
2005 ◽
Vol 36
(6)
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pp. 835-850
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2017 ◽
Vol 403
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pp. 342-346
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1997 ◽
Vol 250
(1)
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pp. 29-35
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2017 ◽
Vol 60
(19-20)
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pp. 1496-1505
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2014 ◽
Vol 141
(6)
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pp. 064311
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