Universität zu Köln

Salomon, T., Dudek, J. B., Bentley, S., Schlemmer, S. and Thorwirth, S. (2019). A continued investigation of carbon subsulfide, SCCCS, at 5 mu m: New hot bands and isotopic species. J. Mol. Spectrosc., 356. S. 21 - 28. SAN DIEGO: ACADEMIC PRESS INC ELSEVIER SCIENCE. ISSN 1096-083X

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Abstract

The nu(3) anti-symmetric stretching mode of linear carbon subsulfide, SCCCS, located at 2100 cm(-1 )has been reinvestigated at high-spectral resolution in the gas phase using a combination of laser ablation production, free jet expansion and quantum cascade laser detection. Following-up on pioneering studies from the literature (Holland et al., 1988; Holland and Winnewisser, 1991) that reported on the strong nu(3) vibrational fundamental, related hot bands orignating from the energetically lowest bending mode nu(7) and selected isotopic species, in the present investigation hot bands from the first excited bending modes nu(5) and nu(6) have been observed for the first time. In addition, using sample targets enriched in C-13 permitted the detection of three new isotopic species near 2085 cm(1): (SCCCS)-C-13, (34) (SCCCS)-C-13, and (SCCCS)-S-34-C-13. Selected hot bands of rare isotopic species were also observed. The experimental work has been complemented by high-level CCSD(T) calculations supporting spectroscopic analysis. (C) 2018 Elsevier Inc. All rights reserved.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Salomon, T. UNSPECIFIED UNSPECIFIED UNSPECIFIED Dudek, J. B. UNSPECIFIED UNSPECIFIED UNSPECIFIED Bentley, S. UNSPECIFIED UNSPECIFIED UNSPECIFIED Schlemmer, S. UNSPECIFIED UNSPECIFIED UNSPECIFIED Thorwirth, S. UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-157770
DOI:	10.1016/j.jms.2018.12.002
Journal or Publication Title:	J. Mol. Spectrosc.
Volume:	356
Page Range:	S. 21 - 28
Date:	2019
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 CORRELATED MOLECULAR CALCULATIONS; GAUSSIAN-BASIS SETS; EQUILIBRIUM STRUCTURE; LABORATORY DETECTION; MANY-BODY; SPECTRA; CCSD(T); ATOMS; PERTURBATION; DERIVATIVES Multiple languages Physics, Atomic, Molecular & Chemical; Spectroscopy Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/15777