Thioxoethenylidene

Thioxoethenylidene, is a reactive heteroallene molecule with formula CCS.[1]

Thioxoethenylidene
Names
IUPAC name
Thioxoethenylidene
Identifiers
3D model (JSmol)
ChemSpider
  • InChI=1S/C2S/c1-2-3
    Key: NELREAXCVQVNGC-UHFFFAOYSA-N
  • [C+]#C[S-]
Properties
C2S
Molar mass 56.08 g·mol−1
Related compounds
Related compounds
 CS
SCCS
SCCCS
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

Occurrence

CCS is found in space in large quantities.[1] This includes the Taurus Molecular Cloud in TMC-1, TMC-1c and L1521B. These are likely in young starless molecular cloud cores.[2]

Production

By condensing propadienedithione SCCCS or thioxopropadienone OCCCS in solid argon and irradiating with ultraviolet radiation, CCS is formed.[1] Another way is via a glow discharge in a mixture of carbon disulfide and helium. Yet another way is through electron irradiation of sulfur containing heterocycles.[1]

CCS and the anion CCS− can be formed in solid neon matrices also.[3]

Properties

CCS can be a ligand. It can form an asymmetrical bridge between two molybdenum atoms in Mo2(μ,σ(C):η2(C′S)-CCS)(CO)4(hydrotris(3,5-dimethylpyrazol-1-yl)borate)2 In this one carbon atom has a triple bond to a molybdenum and the other has a double bond to the other molybdenum atom, which also has a single bond to the sulfur atom.[4]

The ultraviolet spectrum shows absorption bands between 2800 and 3370 Å and also in the near infrared between 7500 and 10000 Å.[1] CCS can react with CCCS to form C5S.[1]

The infrared spectrum in solid argon shows a vibration band at 1666.6 cm−1 called v1 and another called v2 at 862.7 cm−1. The 2v1 overtone is at 3311.1  cm−1. A combination vibration and bending band is at 2763.4 cm−1[1]

The microwave spectrum has emission lines 43 − 32 at 45.4 GHz and 21 - 10 at 22.3 GHz, important for detection of molecules in molecular clouds.[2]

Theoretical predictions show that the C-C bond is 1.304 Å long and the C–S bond is 1.550 Å.[5]

References
  1. Maier, Günther; Reisenauer, Hans Peter; Ruppel, Raimund (October 2004). "Thioxoethenylidene C2S: A Matrix-Spectroscopic Study". European Journal of Organic Chemistry. 2004 (20): 4197–4202. doi:10.1002/ejoc.200400252.
  2. Roy, Nirupam; Datta, Abhirup; Momjian, Emmanuel; Sarma, Anuj P. (20 September 2011). "Imaging of the CCS 22.3 GHz emission in the Taurus Molecular Cloud complex". The Astrophysical Journal. 739 (1): L4. arXiv:1106.4011. Bibcode:2011ApJ...739L...4R. doi:10.1088/2041-8205/739/1/L4. S2CID 118857505.
  3. Riaplov, Evgueni; Wyss, Muriel; Maier, John P; Panten, Dietmar; Chambaud, Gilberte; Rosmus, Pavel; Fabian, Juergen (November 2003). "Electronic absorption spectra of CCS− and CCS in neon matrices". Journal of Molecular Spectroscopy. 222 (1): 15–21. Bibcode:2003JMoSp.222...15R. doi:10.1016/S0022-2852(02)00050-4.
  4. Caldwell, Lorraine M.; Hill, Anthony F.; Stranger, Robert; Terrett, Richard N. L.; von Nessi, Kassetra M.; Ward, Jas S.; Willis, Anthony C. (12 January 2015). "Thioxoethenylidene (CCS) as a Bridging Ligand". Organometallics. 34 (1): 328–334. doi:10.1021/om5011319. hdl:1885/13701.
  5. Xie, Yaoming; Schaefer, Henry F. (March 1992). "Naked organosulfur clusters: The infrared spectrum of the C2S molecule". The Journal of Chemical Physics. 96 (5): 3714–3717. Bibcode:1992JChPh..96.3714X. doi:10.1063/1.461874.
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