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A quantum mechanical study on CH2NS+ family of cations, possible interstellar species

Published online by Cambridge University Press:  13 February 2013

M. Gronowski  and
R. Kołos
M. Gronowski
Affiliation:
Institute of Physical Chemistry, Polish Academy of Sciences, 44/52 Kasprzaka, 01-224 Warsaw, Poland;. e-mail: marcingronowski@gmail.com; rkolos@ichf.edu.pl
R. Kołos
Affiliation:
Institute of Physical Chemistry, Polish Academy of Sciences, 44/52 Kasprzaka, 01-224 Warsaw, Poland;. e-mail: marcingronowski@gmail.com; rkolos@ichf.edu.pl Cardinal S. Wyszyński University, Faculty of Mathematics and Natural Sciences, Wóycickiego 1/3, 01-938 Warsaw, Poland;; e-mail: rkols@ichf.edu.pl

Abstract

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It is demonstrated on quantum mechanical grounds that the dissociative recombination of HSCNH+ with an electron, a reaction of interest to the chemistry of molecular interstellar clouds, leads either to HSCN or to HNCS. The HSCNH+ cation, thus far undiscovered in space, is therefore proposed as a precursor for both neutral interstellar species, while H2NCS+ (32 kJ/mol more stable than HSCNH+, according to our quantum-chemical calculations) can yield only HNCS. Calculations of potential energy surfaces were carried out for both cationic precursors.

Type
Research Article
Information
European Astronomical Society Publications Series , Volume 58: ECLA - European Conference on Laboratory Astrophysics , 2012 , pp. 275 - 278
Copyright
© The Author(s) 2013

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