Published March 2018 | Version v1
Journal article

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 S2

  • 1. CNR-ISTM, 06123 Perugia (Italy)
  • 2. Dipartimento di Ingegneria Civile e Ambientale, Università degli Studi di Perugia, 06125 Perugia (Italy)
  • 3. Dipartimento di Chimica, Biologia e Biotecnologie, Università degli Studi di Perugia, 06123 Perugia (Italy)
  • 4. Scuola Normale Superiore, 56126 Pisa (Italy)
  • 5. INAF, Osservatorio Astrofisico di Arcetri, Largo E. Fermi 5, 50125 Firenze (Italy)
  • 6. Université Grenoble Alpes, IPAG, 38000 Grenoble (France)

Description

Highlights: • We ran electronic structure calculations of the potential energy surfaces for SiH + S/S2 systems. • Both reactions are barrierless and lead to products containing a novel SiS bond. • Both reactions should be considered among the formation routes of interstellar SiS. In this Letter we report on the first characterization of the reactions SiH + S and SiH + S2 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 astrochemical 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.

Availability note (English)

Available from http://dx.doi.org/10.1016/j.cplett.2018.01.053

Additional details

Identifiers

DOI
10.1016/j.cplett.2018.01.053;
PII
S0009261418300708;

Publishing Information

Journal Title
Chemical Physics Letters
Journal Volume
695
Journal Page Range
p. 87-93
ISSN
0009-2614
CODEN
CHPLBC

INIS

Country of Publication
Netherlands
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
54069349
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
ATOMS; ELECTRONIC STRUCTURE; POTENTIAL ENERGY; SILICON SULFIDES; SULFUR; SURFACES
Descriptors DEC
CHALCOGENIDES; ELEMENTS; ENERGY; NONMETALS; SILICON COMPOUNDS; SULFIDES; SULFUR COMPOUNDS

Optional Information

Copyright
Copyright (c) 2018 Elsevier B.V. All rights reserved.