Universität zu Köln

Thorwirth, S., Salomon, T., Fanghaenel, S., Kozubal, J. R. and Dudek, J. B. (2017). High-resolution infrared fingerprints of carbon-sulfur clusters: The v(1) band of C5S. Chem. Phys. Lett., 684. S. 262 - 267. AMSTERDAM: ELSEVIER SCIENCE BV. ISSN 1873-4448

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Abstract

The v(1) fundamental vibrational mode of the C5S carbon-sulfur chain has been observed at high-spectral resolution in the gas phase for the first time. C5S was produced using laser ablation of carbon-sulfur targets and observed in a free-jet expansion using quantum cascade laser spectroscopy. The v(1) mode is found centered at 2142.3072(1) cm(-1), blueshifted by some 4 cm(-1) from the v(4) vibrational fundamental of the C-7 pure carbon cluster which is also observed under the same experimental conditions. The present study is complemented by high-level CCSD(T) calculations revealing very good agreement between calculated and experimental molecular parameters. (C) 2017 Elsevier B.V. All rights reserved.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Thorwirth, S. UNSPECIFIED UNSPECIFIED UNSPECIFIED Salomon, T. UNSPECIFIED UNSPECIFIED UNSPECIFIED Fanghaenel, S. UNSPECIFIED UNSPECIFIED UNSPECIFIED Kozubal, J. R. UNSPECIFIED UNSPECIFIED UNSPECIFIED Dudek, J. B. UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-217636
DOI:	10.1016/j.cplett.2017.06.032
Journal or Publication Title:	Chem. Phys. Lett.
Volume:	684
Page Range:	S. 262 - 267
Date:	2017
Publisher:	ELSEVIER SCIENCE BV
Place of Publication:	AMSTERDAM
ISSN:	1873-4448
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language CORRELATED MOLECULAR CALCULATIONS; DIODE-LASER SPECTROSCOPY; GAUSSIAN-BASIS SETS; ABSORPTION-SPECTROSCOPY; FOURIER-TRANSFORM; MANY-BODY; HOT-BAND; SPECTRA; CCSD(T); PERTURBATION Multiple languages Chemistry, Physical; Physics, Atomic, Molecular & Chemical Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/21763