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Electronic Structure and Kinetics Calculations for the Si+SH Reaction, a Possible Route of SiS Formation in Star-Forming Regions

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Computational Science and Its Applications – ICCSA 2019 (ICCSA 2019)

Part of the book series: Lecture Notes in Computer Science ((LNTCS,volume 11621))

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Abstract

The reaction between atomic silicon and the mercapto radical has been computationally investigated by means of electronic structure and kinetics calculations to establish its possible role in the formation of interstellar SiS. According to our kinetics estimates based on the electronic structure calculations of the Si+SH potential energy surface, the reaction is very fast reaching the gas-kinetics limit. Therefore, the title reaction is an efficient formation route of interstellar SiS provided that silicon atoms and mercapto radicals are present. Implications for the observation of an anomalously high abundance of SiS in the shocked region around a Sun-like protostar (L1157-B1) are also presented.

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Acknowledgments

This work has been supported by MIUR “PRIN 2015” funds, project “STARS in the CAOS (Simulation Tools for Astrochemical Reactivity and Spectroscopy in the Cyberinfrastructure for Astrochemical Organic Species)”, Grant Number 2015F59J3R and by the project PRIN-INAF 2016 The Cradle of Life - GENESIS-SKA (General Conditions in Early Planetary Systems for the rise of life with SKA). This project has received funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme, for the Project “The Dawn of Organic Chemistry” (DOC), grant agreement No 741002.

Author information

Author notes

  1. Dimitrios Skouteris

    Present address: Master-Up, Strada Vicinale Sperandio 15, 06125, Perugia, Italy

Authors and Affiliations

  1. Dipartimento di Ingegneria Civile e Ambientale, Università degli Studi di Perugia, 06125, Perugia, Italy

    Marzio Rosi

  2. CNR-ISTM, 06123, Perugia, Italy

    Marzio Rosi

  3. Scuola Normale Superiore, 56126, Pisa, Italy

    Dimitrios Skouteris

  4. Dipartimento di Chimica, Biologia e Biotecnologie, Università degli Studi di Perugia, 06123, Perugia, Italy

    Nadia Balucani, Luca Mancini & Noelia Faginas Lago

  5. INAF, Osservatorio Astrofisico di Arcetri, 50125, Florence, Italy

    Nadia Balucani, Linda Podio & Claudio Codella

  6. Université Grenoble Alpes, IPAG, 38000, Grenoble, France

    Nadia Balucani, Bertrand Lefloch & Cecilia Ceccarelli

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  1. Marzio Rosi
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Corresponding author

Correspondence to Marzio Rosi .

Editor information

Editors and Affiliations

  1. Covenant University, Ota, Nigeria

    Sanjay Misra

  2. University of Perugia, Perugia, Italy

    Osvaldo Gervasi

  3. University of Basilicata, Potenza, Italy

    Beniamino Murgante

  4. Saint Petersburg State University, Saint Petersburg, Russia

    Elena Stankova

  5. Saint Petersburg State University, Saint Petersburg, Russia

    Vladimir Korkhov

  6. Polytechnic University of Bari, Bari, Italy

    Carmelo Torre

  7. University of Minho, Braga, Portugal

    Ana Maria A.C. Rocha

  8. Monash University, Clayton, VIC, Australia

    David Taniar

  9. Kyushu Sangyo University, Fukuoka, Japan

    Bernady O. Apduhan

  10. Polytechnic University of Bari, Bari, Italy

    Eufemia Tarantino

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Rosi, M. et al. (2019). Electronic Structure and Kinetics Calculations for the Si+SH Reaction, a Possible Route of SiS Formation in Star-Forming Regions. In: Misra, S., et al. Computational Science and Its Applications – ICCSA 2019. ICCSA 2019. Lecture Notes in Computer Science(), vol 11621. Springer, Cham. https://doi.org/10.1007/978-3-030-24302-9_22

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  • DOI: https://doi.org/10.1007/978-3-030-24302-9_22

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