Universität zu Köln

Zingsheim, Oliver, Mueller, Holger S. P., Bonah, Luis ORCID: 0000-0001-5686-7883, Lewen, Frank ORCID: 0000-0003-4555-2303, Thorwirth, Sven ORCID: 0000-0001-8200-6710 and Schlemmer, Stephan ORCID: 0000-0002-1421-7281 (2022). (Sub-)millimeter-wave spectroscopy of gauche-propanal. J. Mol. Spectrosc., 384. SAN DIEGO: ACADEMIC PRESS INC ELSEVIER SCIENCE. ISSN 1096-083X

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Abstract

A detailed analysis of (sub-)millimeter-wave spectra of the vibrational ground state (v = 0) combined with the energetically lowest excited vibrational state (v(24) = 1; aldehyde torsion) of gauche-propanal (g-C2H5CHO) up to 500 GHz is presented. Both vibrational states, v = 0 and v(24) = 1, are treated with tunneling rotation interactions between their two respective tunneling states, which originate from two stable degenerate gauche-conformers; left-and right-handed configurations separated by a small potential barrier. Thanks to double-modulation double-resonance (DM-DR) measurements, important but weak c-type transitions connecting the tunneling states could be unambiguously assigned. In addition, Coriolis interaction as well as Fermi resonance between the two vibrational states needed to be taken into account to derive fits with experimental accuracy using Pickett's SPFIT program in a reduced axis system (RAS). Based on the rotational analysis, the fundamental vibrational frequency v(24) of gauche-propanal is redetermined to 68.75037(30) cm(-1).

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Zingsheim, Oliver UNSPECIFIED UNSPECIFIED UNSPECIFIED Mueller, Holger S. P. UNSPECIFIED UNSPECIFIED UNSPECIFIED Bonah, Luis UNSPECIFIED orcid.org/0000-0001-5686-7883 UNSPECIFIED Lewen, Frank UNSPECIFIED orcid.org/0000-0003-4555-2303 UNSPECIFIED Thorwirth, Sven UNSPECIFIED orcid.org/0000-0001-8200-6710 UNSPECIFIED Schlemmer, Stephan UNSPECIFIED orcid.org/0000-0002-1421-7281 UNSPECIFIED
URN:	urn:nbn:de:hbz:38-661927
DOI:	10.1016/j.jms.2021.111565
Journal or Publication Title:	J. Mol. Spectrosc.
Volume:	384
Date:	2022
Publisher:	ACADEMIC PRESS INC ELSEVIER SCIENCE
Place of Publication:	SAN DIEGO
ISSN:	1096-083X
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language SUBMILLIMETER-WAVE SPECTROSCOPY; MICROWAVE-SPECTRUM; ROTATIONAL SPECTRUM; ETHYLENE-GLYCOL; INTERNAL-ROTATION; MILLIMETER; CIS; BARRIER Multiple languages Physics, Atomic, Molecular & Chemical; Spectroscopy Multiple languages
URI:	http://kups.ub.uni-koeln.de/id/eprint/66192