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Accurate spectroscopic characterization of ethyl mercaptan and dimethyl sulfide isotopologues: A route toward their astrophysical detection

AuthorsPuzzarini, Cristina; Senent, María Luisa ; Domínguez Gómez, R. ; Carvajal, M.; Hochlaf, M.; Al-Mogren, M.M.
Molecular data
ISM: abundances
ISM: molecules
Issue Date2014
PublisherUniversity of Chicago Press
CitationAstrophysical Journal 796(1): (2014)
AbstractUsing state-of-the-art computational methodologies, we predict a set of reliable rotational and torsional parameters for ethyl mercaptan and dimethyl sulfide monosubstituted isotopologues. This includes rotational, quartic, and sextic centrifugal-distortion constants, torsional levels, and torsional splittings. The accuracy of the present data was assessed from a comparison to the available experimental data. Generally, our computed parameters should help in the characterization and the identification of these organo-sulfur molecules in laboratory settings and in the interstellar medium. © 2014. The American Astronomical Society. All rights reserved.
Identifiersdoi: 10.1088/0004-637X/796/1/50
issn: 1538-4357
Appears in Collections:(CFMAC-IEM) Artículos
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