Thioketene

• Formula: C₂H₂S
• Molecular weight: 58.102
• IUPAC Standard InChI: InChI=1S/C2H2S/c1-2-3/h1H2 Copy

  
• IUPAC Standard InChIKey: CWMKZYCJCZVSHO-UHFFFAOYSA-N Copy
• CAS Registry Number: 18282-77-4
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
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• Information on this page:
  • Gas phase ion energetics data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C₂H₂S⁺ (ion structure unspecified)

Ionization energy determinations

De-protonation reactions

C₂HS^- +  =

By formula: C₂HS^- + H⁺ = C₂H₂S

Vibrational and/or electronic energy levels

Go To: Top, Gas phase ion energetics data, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Marilyn E. Jacox

State:   A

State:   X

Additional references: Jacox, 1994, page 255; Jacox, 1998, page 282; Georgiou, Kroto, et al., 1974; Bak, Nielsen, et al., 1979; Georgiou, Kroto, et al., 1979; Winnewisser and Schafer, 1980

Notes

References

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Rosmus, Solouki, et al., 1977
Rosmus, P.; Solouki, B.; Bock, H., Ground and excited states of thioketene radical cation, H₂CCS⁺, Chem. Phys., 1977, 22, 453. [all data]

Bock, Solouki, et al., 1977
Bock, H.; Solouki, B.; Bert, G.; Rosmus, P., Unstable Intermediates.5.(1)Thioketene, J. Am. Chem. Soc., 1977, 99, 1663. [all data]

Robinson, Davico, et al., 1994
Robinson, M.S.; Davico, G.E.; Bierbaum, V.M.; Depuy, C.H., The gas phase ion/molecule chemistry of the carbon-13 labeled ketenyl and methyl ketenyl anions with CS2, COS, and CO2, Int. J. Mass Spectrom. Ion Proc., 1994, 137, 107, https://doi.org/10.1016/0168-1176(94)04030-3 . [all data]

Clouthier, 1987
Clouthier, D.J., The electronic spectrum of thioketene and the excited-state structure of ketene, J. Phys. Chem., 1987, 91, 6, 1354, https://doi.org/10.1021/j100290a016 . [all data]

Kroto and McNaughton, 1985
Kroto, H.W.; McNaughton, D., Fourier transform infrared spectrum of thioketene, CH2«58875»C«58875»S, J. Mol. Spectrosc., 1985, 114, 2, 473, https://doi.org/10.1016/0022-2852(85)90239-5 . [all data]

Krantz and Laureni, 1974
Krantz, A.; Laureni, J., Matrix photolysis of 1,2,3-thiadiazole. Possible involvement of thiirene, J. Am. Chem. Soc., 1974, 96, 21, 6768, https://doi.org/10.1021/ja00828a043 . [all data]

Krantz and Laureni, 1981
Krantz, A.; Laureni, J., Characterization of matrix-isolated antiaromatic three-membered heterocycles. Preparation of the elusive thiirene molecule, J. Am. Chem. Soc., 1981, 103, 3, 486, https://doi.org/10.1021/ja00393a002 . [all data]

Torres, Safarik, et al., 1984
Torres, M.; Safarik, I.; Clement, A.; Gosavi, R.K.; Strausz, O.P., The vibrational spectra of thioketene and deuterothioketenes, Can. J. Chem., 1984, 62, 12, 2777, https://doi.org/10.1139/v84-471 . [all data]

Hawkins, Almond, et al., 1985
Hawkins, M.; Almond, M.J.; Downs, A.J., Photochemistry of low-temperature matrixes containing carbonyl sulfide: reactions of sulfur atoms with the phosphorus trihalides phosphorus trifluoride (PF3) and phosphorus trichloride (PCl3) and the hydrocarbons methane, ethene, and ethyne, J. Phys. Chem., 1985, 89, 15, 3326, https://doi.org/10.1021/j100261a034 . [all data]

Jarman and Kroto, 1991
Jarman, C.N.; Kroto, H.W., J. Chem. Soc., 1991, Faraday Trans. 87, 1815. [all data]

McNaughton, Robertson, et al., 1996
McNaughton, D.; Robertson, E.G.; Hatherley, L.D., Resonance between the Ground Vibrational State and the Lowest Frequency Bending Mode of Thioketene, J. Mol. Spectrosc., 1996, 175, 2, 377, https://doi.org/10.1006/jmsp.1996.0043 . [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]

Jacox, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [all data]

Georgiou, Kroto, et al., 1974
Georgiou, K.; Kroto, H.W.; Landsberg, B.M., J. Chem. Soc., 1974, Chem. Commun., 739. [all data]

Bak, Nielsen, et al., 1979
Bak, B.; Nielsen, O.J.; Svanholt, H.; Holm, A.; Toubro, N.H.; Krantz, A.; Laureni, J., Microwave Spectra of Thioketene and Four of Its Isotopic Species., Acta Chem. Scand. A33, 1979, 33a, 161, https://doi.org/10.3891/acta.chem.scand.33a-0161 . [all data]

Georgiou, Kroto, et al., 1979
Georgiou, K.; Kroto, H.W.; Landsberg, B.M., The microwave spectrum, substitution structure, and dipole moment of thioketen, H2C«58875»C«58875»S, J. Mol. Spectrosc., 1979, 77, 3, 365, https://doi.org/10.1016/0022-2852(79)90178-4 . [all data]

Winnewisser and Schafer, 1980
Winnewisser, M.; Schafer, E., Z. Naturforsch., 1980, 35a, 483. [all data]

Notes

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References

• Symbols used in this document:
  

  ΔfH(+) ion,0K	Enthalpy of formation of positive ion at 0K
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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