A comprehensive investigation on the formation of organo-sulfur molecules in dark clouds via neutral-neutral reactions

Fifteen reactions on the doublet HCnS and singlet/triplet potential energy surfaces have been investigated theoretically via electronic structure calculations to unravel the formation of hydrogen deficient, sulfur bearing molecules via bimolecular reactions of two neutral species in cold molecular clouds. Various barrierless reaction pathways to synthesize astronomically observed and hitherto undetected isomers are offered. These data present important guidance to search for rotational transitions of the elusive thioformyl and thioketenyl radicals in the interstellar medium.