Universität zu Köln

Zingsheim, Oliver, Mueller, Holger S. P., Lewen, Frank, Jorgensen, Jes K. and Schlemmer, Stephan ORCID: 0000-0002-1421-7281 (2017). Millimeter and submillimeter wave spectroscopy of propanal. J. Mol. Spectrosc., 342. S. 125 - 132. SAN DIEGO: ACADEMIC PRESS INC ELSEVIER SCIENCE. ISSN 1096-083X

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Abstract

The rotational spectra of the two stable conformers syn- and gauche-propanal (CH3CH2CHO) were studied in the millimeter and submillimeter wave regions from 75 to 500 GHz with the Cologne (Sub-)Millimeter wave Spectrometer. Furthermore, the first excited states associated with the aldehyde torsion and with the methyl torsion, respectively, of the syn-conformer were analyzed. The newly obtained spectroscopic parameters yield better predictions, thus fulfill sensitivity and resolution requirements in new astronomical observations in order to unambiguously assign pure rotational transitions of propanal. This is demonstrated on a radio astronomical spectrum from the Atacama Large Millimeter submillimeter Array Protostellar Interferometric Line Survey (ALMA-PILS). In particular, an accurate description of observed splittings, caused by internal rotation of the methyl group in the syn-conformer and by tunneling rotation interaction from two stable degenerate gauche-conformers, is reported. The rotational spectrum of propanal is of additional interest because of its two large amplitude motions pertaining to the methyl and the aldehyde group, respectively. (C) 2017 Elsevier Inc. All rights reserved.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Zingsheim, Oliver UNSPECIFIED UNSPECIFIED UNSPECIFIED Mueller, Holger S. P. UNSPECIFIED UNSPECIFIED UNSPECIFIED Lewen, Frank UNSPECIFIED UNSPECIFIED UNSPECIFIED Jorgensen, Jes K. UNSPECIFIED UNSPECIFIED UNSPECIFIED Schlemmer, Stephan UNSPECIFIED orcid.org/0000-0002-1421-7281 UNSPECIFIED
URN:	urn:nbn:de:hbz:38-209807
DOI:	10.1016/j.jms.2017.07.008
Journal or Publication Title:	J. Mol. Spectrosc.
Volume:	342
Page Range:	S. 125 - 132
Date:	2017
Publisher:	ACADEMIC PRESS INC ELSEVIER SCIENCE
Place of Publication:	SAN DIEGO
ISSN:	1096-083X
Language:	English
Faculty:	Faculty of Mathematics and Natural Sciences
Divisions:	Faculty of Mathematics and Natural Sciences > Department of Physics > Institute of Physics I
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language MICROWAVE-SPECTRUM; CONFORMATIONAL COMPOSITION; MOLECULAR-SPECTROSCOPY; ASTROCHEMICAL INTEREST; ROTATIONAL SPECTRUM; INTERNAL-ROTATION; COLOGNE DATABASE; CIS; COMPOUND; BARRIER Multiple languages Physics, Atomic, Molecular & Chemical; Spectroscopy Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/20980