Possible scenarios for SiS formation in the interstellar medium: Electronic structure calculations of the potential energy surfaces for the reactions of the SiH radical with atomic sulphur and S-2

Rosi M; Mancini L; Skouteris D; Ceccarelli C; Lago NF; Podio L; Codella C; Lefloch B; Balucani N

Chemical Physics Letters, Vol.695, 87-93, 2018

DOI10.1016/j.cplett.2018.01.053 Export Citation

Possible scenarios for SiS formation in the interstellar medium: Electronic structure calculations of the potential energy surfaces for the reactions of the SiH radical with atomic sulphur and S-2

Rosi M, Mancini L, Skouteris D, Ceccarelli C, Lago NF, Podio L, Codella C, Lefloch B, Balucani N

In this Letter we report on the first characterization of the reactions SiH + S and SiH + S-2 by means of electronic structure calculations of the stationary points along the reactive potential energy surfaces. According to our calculations, both reactions are barrierless and can lead to the formation of SiS (a species observed in interstellar objects) for which there are no convincing formation routes in current astro-chemical models. Furthermore, we have verified that SiS2 cannot be considered an interstellar reservoir of sulphur because it is easily attacked by the abundant H atoms. (C) 2018 Elsevier B. V. All rights reserved.