Universität zu Köln

Mueller, Holger S. P., Maeda, Atsuko, Thorwirth, Sven, Lewen, Frank, Schlemmer, Stephan, Medvedev, Ivan R., Winnewisser, Manfred, De Lucia, Frank C. and Herbst, Eric (2019). Laboratory spectroscopic study of isotopic thioformaldehyde, H2CS, and determination of its equilibrium structure. Astron. Astrophys., 621. LES ULIS CEDEX A: EDP SCIENCES S A. ISSN 1432-0746

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Abstract

Context. Thioformaldehyde is an abundant molecule in various regions of the interstellar medium. However, available laboratory data limit the accuracies of calculated transition frequencies in the submillimeter region, in particular for minor isotopic species. Aims. We aim to determine spectroscopic parameters of isotopologs of H2CS that are accurate enough for predictions well into the submillimeter region. Methods. We investigated the laboratory rotational spectra of numerous isotopic species in natural isotopic composition almost continuously between 110 and 377 GHz. Individual lines were studied for most species in two frequency regions between 566 and 930 GHz. Further data were obtained for the three most abundant species in the 1290-1390 GHz region. Results. New or improved spectroscopic parameters were determined for seven isotopic species. Quantum-chemical calculations were carried out to evaluate the differences between ground state and equilibrium rotational parameters to derive semi-empirical equilibrium structural parameters. Conclusions. The spectroscopic parameters are accurate enough for predictions well above 1 THz with the exception of (H2CS)-C-13-S-34 where the predictions should be reliable to around 700 GHz.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Mueller, Holger S. P. UNSPECIFIED UNSPECIFIED UNSPECIFIED Maeda, Atsuko UNSPECIFIED UNSPECIFIED UNSPECIFIED Thorwirth, Sven UNSPECIFIED UNSPECIFIED UNSPECIFIED Lewen, Frank UNSPECIFIED UNSPECIFIED UNSPECIFIED Schlemmer, Stephan UNSPECIFIED UNSPECIFIED UNSPECIFIED Medvedev, Ivan R. UNSPECIFIED UNSPECIFIED UNSPECIFIED Winnewisser, Manfred UNSPECIFIED UNSPECIFIED UNSPECIFIED De Lucia, Frank C. UNSPECIFIED UNSPECIFIED UNSPECIFIED Herbst, Eric UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-158990
DOI:	10.1051/0004-6361/201834517
Journal or Publication Title:	Astron. Astrophys.
Volume:	621
Date:	2019
Publisher:	EDP SCIENCES S A
Place of Publication:	LES ULIS CEDEX A
ISSN:	1432-0746
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language SUBMILLIMETER-WAVE SPECTRUM; CORRELATED MOLECULAR CALCULATIONS; GAUSSIAN-BASIS SETS; MILLIMETER-WAVE; LINE SURVEY; ORION-KL; ROTATIONAL SPECTROSCOPY; MICROWAVE-SPECTRUM; SULFUR CHEMISTRY; ODIN SATELLITE Multiple languages Astronomy & Astrophysics Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/15899