Accurate spectroscopic characterization of ethyl mercaptan and dimethyl sufide isotopologues : a rute toward their astrophysical detection
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Author
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Publication Date
2014 -
Publisher
American Astronomical Society -
Citation
Puzzarini, C., Senent, M. L., Domínguez Gómez, R., Carvajal Zaera, M., Hochlaf, M.: "Accurate spectroscopic characterization of ethyl mercaptan and dimethyl sufide isotopologues : a rute toward their astrophysical detection". The Astrophysical Journal, Vol. 796, n. 1 (2014). ISSN 0004-637X -
Abstract
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. -
Project
info:eu-repo/grantAgreement/MINECO, Spain [FIS2011-28738-C02-02]
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Accurata_spectroscopic.pdf | 110.4Kb | View/ | versión editor |
Fichero | Tamaño | Formato |
| Description |
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Accurata_spectroscopic.pdf | 110.4Kb | View/ | versión editor |