Journal Highlight: Carbon–sulfur chains: A high-resolution infrared and quantum-chemical study of C3S and SC7S

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  • Published: Sep 4, 2017
  • Author: spectroscopyNOW
  • Channels: Infrared Spectroscopy
thumbnail image: Journal Highlight: Carbon–sulfur chains: A high-resolution infrared and quantum-chemical study of C<sub>3</sub>S and SC<sub>7</sub>S

C3S and SC7S, produced by laser ablation of carbon-sulfur targets, have been characterised by IR spectroscopy and quantum mechanical calculations, leading to the first gas-phase spectroscopic detection of the long SC7S cumulenic chain.

Carbon–sulfur chains: A high-resolution infrared and quantum-chemical study of C3S and SC7S

International Journal of Quantum Chemistry, 2017, 117, e25414 online
John B. Dudek, Thomas Salomon, Sven Fanghänel and Sven Thorwirth

Abstract: In the course of a 5 μm high-resolution infrared study of laser ablation products from carbon–sulfur targets, the ν1 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 v1+v5-v5, v1+v4-v4, and even v1+v3-v3 hot bands, the latter two of which were observed for the first time. Owing to the high signal-to-noise ratio obtained, the ν1 mode of C334S 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 ν1 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 ν5 vibrational fundamental of linear SC7S, which stands for the first gas-phase spectroscopic detection of this long cumulenic chain.

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