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
Creators
- 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.2018.01.053Additional 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.