Vinyl radical

• Formula: C₂H₃
• Molecular weight: 27.0452
• IUPAC Standard InChI: InChI=1S/C2H3/c1-2/h1H,2H2 Copy

  
• IUPAC Standard InChIKey: ORGHESHFQPYLAO-UHFFFAOYSA-N Copy
• CAS Registry Number: 2669-89-8
• 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 thermochemistry data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Ion clustering data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Data at other public NIST sites:
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  • Gas Phase Kinetics Database
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Gas phase thermochemistry data

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, References, Notes

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

Reaction thermochemistry 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 compiled by: Robert C. Dunbar

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

 +  = ( • )

By formula: Cr⁺ + C₂H₃ = (Cr⁺ • C₂H₃)

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:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
B - John E. Bartmess

View reactions leading to C₂H₃⁺ (ion structure unspecified)

Electron affinity determinations

Ionization energy determinations

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, 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: Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

 +  = ( • )

By formula: Cr⁺ + C₂H₃ = (Cr⁺ • C₂H₃)

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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:   Ryd

State:   B

State:   A

State:   X

Additional references: Jacox, 1994, page 232; Jacox, 1998, page 269; Jacox, 2003, page 255; Kim and Yamamoto, 2002; Tanaka, Toshimitsu, et al., 2004

Notes

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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.

Tsang, 1996
Tsang, W., Heats of Formation of Organic Free Radicals by Kinetic Methods in Energetics of Organic Free Radicals, Martinho Simoes, J.A.; Greenberg, A.; Liebman, J.F., eds., Blackie Academic and Professional, London, 1996, 22-58. [all data]

Fisher and Armentrout, 1992
Fisher, E.R.; Armentrout, P.B., Activation of Alkanes by Cr+: Unique Reactivity of Ground-State Cr+(6S) and Thermochemistry of Neutral and Ionic Chromium-Carbon Bonds, J. Am. Chem. Soc., 1992, 114, 6, 2039, https://doi.org/10.1021/ja00032a017 . [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]

Ervin, Gronert, et al., 1990
Ervin, K.M.; Gronert, S.; Barlow, S.E.; Gilles, M.K.; Harrison, A.G.; Bierbaum, V.M.; DePuy, C.H.; Lin, W.C., Bonds Strengths of Ethylene and Acetylene, J. Am. Chem. Soc., 1990, 112, 15, 5750, https://doi.org/10.1021/ja00171a013 . [all data]

Lindinger, Albritton, et al., 1975
Lindinger, W.; Albritton, A.L.; Fehsenfeld, F.C.; Ferguson, E.E., Reactions of O- with N₂, N₂O, SO₂, NH₃, CH₄, C₂H₄, and C₂H₂- with O₂ from 300K to relative kinetic energies of 2 eV, J. Chem. Phys., 1975, 63, 3238. [all data]

Blush and Chen, 1992
Blush, J.A.; Chen, P., Photoelectron spectrum of the vinyl radical. Downward revision of C₂H₃ ionization potential, J. Phys. Chem., 1992, 96, 4138. [all data]

Berkowitz, Mayhew, et al., 1988
Berkowitz, J.; Mayhew, C.A.; Ruscic, B., A photoionization study of the vinyl radical, J. Chem. Phys., 1988, 88, 7396. [all data]

Reinke, Kraessig, et al., 1973
Reinke, D.; Kraessig, R.; Baumgartel, H., Photoreactions of small organic molecules, Z. Naturforsch. A:, 1973, 28, 1021. [all data]

Lossing, 1971
Lossing, F.P., Free radicals by mass spectrometry. XLIII. Ionization potentials and ionic heats of formation for vinyl, allyl, and benzyl radicals, Can. J. Chem., 1971, 49, 357. [all data]

Fahr and Laufer, 1988
Fahr, A.; Laufer, A.H., Ultraviolet absorption of the vinyl radical and reaction with oxygen, J. Phys. Chem., 1988, 92, 26, 7229, https://doi.org/10.1021/j100337a014 . [all data]

Fahr, Hassanzadeh, et al., 1998
Fahr, A.; Hassanzadeh, P.; Atkinson, D.B., Ultraviolet absorption spectrum and cross-sections of vinyl (C2H3) radical in the 225--238 nm region, Chem. Phys., 1998, 236, 1-3, 43, https://doi.org/10.1016/S0301-0104(98)00213-4 . [all data]

Hunziker, Kneppe, et al., 1983
Hunziker, H.E.; Kneppe, H.; McLean, A.D.; Siegbahn, P.; Wendt, H.R., Visible electronic absorption spectrum of vinyl radical, Can. J. Chem., 1983, 61, 5, 993, https://doi.org/10.1139/v83-175 . [all data]

Pibel, McIlroy, et al., 1999
Pibel, C.D.; McIlroy, A.; Taatjes, C.A.; Alfred, S.; Patrick, K.; Halpern, J.B., The vinyl radical (A[sup 2]A[sup ´´]←X[sup 2]A[sup ´]) spectrum between 530 and 415 nm measured by cavity ring-down spectroscopy, J. Chem. Phys., 1999, 110, 4, 1841, https://doi.org/10.1063/1.477850 . [all data]

Tonokura, Marui, et al., 1999
Tonokura, K.; Marui, S.; Koshi, M., Absorption cross-section measurements of the vinyl radical in the 440--460 nm region by cavity ring-down spectroscopy, Chem. Phys. Lett., 1999, 313, 5-6, 771, https://doi.org/10.1016/S0009-2614(99)01070-2 . [all data]

Pushkarsky, Mann, et al., 2001
Pushkarsky, M.B.; Mann, A.M.; Yeston, J.S.; Moore, C.B., Electronic spectroscopy of jet-cooled vinyl radical, J. Chem. Phys., 2001, 115, 23, 10738, https://doi.org/10.1063/1.1416495 . [all data]

Shahu, Yang, et al., 2002
Shahu, M.; Yang, C.-H.; Pibel, C.D.; McIlroy, A.; Taatjes, C.A.; Halpern, J.B., Vinyl radical visible spectroscopy and excited state dynamics, J. Chem. Phys., 2002, 116, 19, 8343, https://doi.org/10.1063/1.1471909 . [all data]

Wu, Lin, et al., 2008
Wu, Y.-J.; Lin, M.-Y.; Cheng, B.-M.; Chen, H.-F.; Lee, Y.-P., Infrared absorption spectra of vinyl radicals isolated in solid Ne, J. Chem. Phys., 2008, 128, 20, 204509, https://doi.org/10.1063/1.2929826 . [all data]

Dong, Roberts, et al., 2008
Dong, F.; Roberts, M.; Nesbitt, D.J., High-resolution infrared spectroscopy of jet-cooled vinyl radical: Symmetric CH[sub 2] stretch excitation and tunneling dynamics, J. Chem. Phys., 2008, 128, 4, 044305, https://doi.org/10.1063/1.2816704 . [all data]

Wu, Chen, et al., 2009
Wu, Y.-J.; Chen, H.-F.; Camacho, C.; Sitek, H.A.; Hsu, S.-C.; Lin, M.-Y.; Chou, S.-L.; Ogilvie, J.F.; Cheng, B.-M., FORMATION AND IDENTIFICATION OF INTERSTELLAR MOLECULE LINEAR C, Astrophys. J., 2009, 701, 1, 8, https://doi.org/10.1088/0004-637X/701/1/8 . [all data]

Jacox and Thompson, 2011
Jacox, M.E.; Thompson, W.E., The infrared spectra of C2H4+ and C2H3 trapped in solid neon, J. Chem. Phys., 2011, 134, 6, 064321, https://doi.org/10.1063/1.3555626 . [all data]

Tanskanen, Khrichtchev, et al., 2005
Tanskanen, H.; Khrichtchev, L.; Rasanen, M.; Feldman, V.I.; Sukhov, F.F.; Orlov, A.Yu.; Tyurin, D.A., Infrared absorption and electron paramagnetic resonance studies of vinyl radical in noble-gas matrices, J. Chem. Phys., 2005, 123, 6, 064318, https://doi.org/10.1063/1.2000907 . [all data]

Kanamori, Endo, et al., 1990
Kanamori, H.; Endo, Y.; Hirota, E., The vinyl radical investigated by infrared diode laser kinetic spectroscopy, J. Chem. Phys., 1990, 92, 1, 197, https://doi.org/10.1063/1.458462 . [all data]

Forney, Jacox, et al., 1995
Forney, D.; Jacox, M.E.; Thompson, W.E., The Infrared and Near-Infrared Spectra of HCC and DCC Trapped in Solid Neon, J. Mol. Spectrosc., 1995, 170, 1, 178, https://doi.org/10.1006/jmsp.1995.1065 . [all data]

Shepherd, Doyle, et al., 1988
Shepherd, R.A.; Doyle, T.J.; Graham, W.R.M., A Fourier transform infrared study of the D and 13C substituted C2H3 vinyl radical in solid argon, J. Chem. Phys., 1988, 89, 5, 2738, https://doi.org/10.1063/1.455025 . [all data]

Khriachtchev, Tanskanen, et al., 2003
Khriachtchev, L.; Tanskanen, H.; Lundell, J.; Pettersson, M.; Kiljunen, H.; Rasanen, M., Fluorine-Free Organoxenon Chemistry: HXeCCH, HXeCC, and HXeCCXeH, J. Am. Chem. Soc., 2003, 125, 16, 4696, https://doi.org/10.1021/ja034485d . [all data]

Feldman, Sukhov, et al., 2003
Feldman, V.I.; Sukhov, F.F.; Orlov, A.Yu.; Tyulpina, I.V., Experimental Evidence for the Formation of HXeCCH: The First Hydrocarbon with an Inserted Rare-Gas Atom, J. Am. Chem. Soc., 2003, 125, 16, 4698, https://doi.org/10.1021/ja034585j . [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]

Jacox, 2003
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement B, J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629 . [all data]

Kim and Yamamoto, 2002
Kim, E.; Yamamoto, S., Fourier transform millimeter-wave spectroscopy of the deuterated vinyl radical, C[sub 2]D[sub 3], J. Chem. Phys., 2002, 116, 24, 10713, https://doi.org/10.1063/1.1480270 . [all data]

Tanaka, Toshimitsu, et al., 2004
Tanaka, K.; Toshimitsu, M.; Harada, K.; Tanaka, T., Determination of the proton tunneling splitting of the vinyl radical in the ground state by millimeter-wave spectroscopy combined with supersonic jet expansion and ultraviolet photolysis, J. Chem. Phys., 2004, 120, 8, 3604, https://doi.org/10.1063/1.1642583 . [all data]

Notes

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

• Symbols used in this document:
  

  EA	Electron affinity
  ΔfH(+) ion,0K	Enthalpy of formation of positive ion at 0K
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

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