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

Puzzarini C. Senent M.L. Dominguez-Gomez R. Carvajal M. Hochlaf M. Hochlaf M. Al-Mogren M.M.
Astrophysical Journal
Doi 10.1088/0004-637X/796/1/50
Volumen 796
2014-11-20
Citas: 15
Abstract
© 2014. The American Astronomical Society. All rights reserved. Using 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.
Astrochemistry, Catalogs, ISM: abundances, ISM: molecules, Molecular data
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