Dudek, John B., Salomon, Thomas, Fanghaenel, Sven and Thorwirth, Sven (2017). Carbon-sulfur chains: A high-resolution infrared and quantum-chemical study of C3S and SC7S. Int. J. Quantum Chem., 117 (18). HOBOKEN: WILEY. ISSN 1097-461X

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Abstract

In the course of a 5 m high-resolution infrared study of laser ablation products from carbon-sulfur targets, the v(1) vibrational mode region of linear C3S has been studied continuously from 2046 to 2065 cm(-1). Besides the prominent vibrational fundamental, the region was found to feature the v(1)+v(5)-v(5), v(1)+v(4)-v(4), and even v(1)+v(3)-v(3) hot bands, the latter two of which were observed for the first time. Owing to the high signal-to-noise ratio obtained, the v(1) mode of (C3S)-S-34 could also be observed in natural abundance for the first time at high spectral resolution in the infrared. At 2061 cm(-1), hidden inside the R-branch of the C3S v(1) fundamental mode, a weak new band is observed which exhibits very tight line spacing and stems from a heavy both carbon and sulfur containing carrier. On the basis of high-level quantum-chemical calculations of selected carbon-sulfur chains and other carbon-rich cumulenes, this feature is attributed to the v(5) vibrational fundamental of linear SC7S, which stands for the first gas-phase spectroscopic detection of this long cumulenic chain.

Item Type: Journal Article
Creators:
CreatorsEmailORCIDORCID Put Code
Dudek, John B.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Salomon, ThomasUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Fanghaenel, SvenUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Thorwirth, SvenUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
URN: urn:nbn:de:hbz:38-217746
DOI: 10.1002/qua.25414
Journal or Publication Title: Int. J. Quantum Chem.
Volume: 117
Number: 18
Date: 2017
Publisher: WILEY
Place of Publication: HOBOKEN
ISSN: 1097-461X
Language: English
Faculty: Unspecified
Divisions: Unspecified
Subjects: no entry
Uncontrolled Keywords:
KeywordsLanguage
CORRELATED MOLECULAR CALCULATIONS; DIODE-LASER SPECTROSCOPY; GAUSSIAN-BASIS SETS; LINEAR SILICON CARBIDES; LABORATORY DETECTION; 2ND DERIVATIVES; ASTRONOMICAL IDENTIFICATION; CIRCUMSTELLAR SHELL; ABSORPTION-SPECTRA; FOURIER-TRANSFORMMultiple languages
Chemistry, Physical; Mathematics, Interdisciplinary Applications; Quantum Science & Technology; Physics, Atomic, Molecular & ChemicalMultiple languages
Refereed: Yes
URI: http://kups.ub.uni-koeln.de/id/eprint/21774

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