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.
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
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Reaction thermochemistry data

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, 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: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C₂HS^- +  =

By formula: C₂HS^- + H⁺ = C₂H₂S

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

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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 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, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, Notes

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

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]

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]

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

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• 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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