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Vinyl radical

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Gas phase 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.

Quantity Value Units Method Reference Comment
Deltafgas71. ± 1.kcal/molN/ATsang, 1996 

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

Chromium ion (1+) + Vinyl radical = (Chromium ion (1+) bullet Vinyl radical)

By formula: Cr+ + C2H3 = (Cr+ bullet C2H3)

Quantity Value Units Method Reference Comment
Deltar59.0 ± 2.3kcal/molCIDTFisher and Armentrout, 1992 

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)

Quantity Value Units Method Reference Comment
Proton affinity (review)180.5kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity172.0kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Deltaf(+) ion262. ± 3.kcal/molN/AN/A 
Quantity Value Units Method Reference Comment
DeltafH(+) ion,0K263. ± 3.kcal/molN/AN/A 

Electron affinity determinations

EA (eV) Method Reference Comment
0.667 ± 0.024LPESErvin, Gronert, et al., 1990B
>0.39999IMRBLindinger, Albritton, et al., 1975B

Ionization energy determinations

IE (eV) Method Reference Comment
8.25PEBlush and Chen, 1992LL
<=8.59 ± 0.03PIBerkowitz, Mayhew, et al., 1988LL
8.7 ± 0.1DERReinke, Kraessig, et al., 1973LLK
8.95EILossing, 1971LLK

Ion clustering 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. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

Chromium ion (1+) + Vinyl radical = (Chromium ion (1+) bullet Vinyl radical)

By formula: Cr+ + C2H3 = (Cr+ bullet C2H3)

Quantity Value Units Method Reference Comment
Deltar59.0 ± 2.3kcal/molCIDTFisher and Armentrout, 1992 

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


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 59410 gas Ryd-X 164 169 Fahr and Laufer, 1988


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

1306 gas AB Fahr and Laufer, 1988

State:   B


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

Td = 42000 gas B-X 225U 238 Fahr, Hassanzadeh, et al., 1998

State:   A


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 20042 gas 385 530 Hunziker, Kneppe, et al., 1983
Pibel, McIlroy, et al., 1999
Tonokura, Marui, et al., 1999
Pushkarsky, Mann, et al., 2001
Shahu, Yang, et al., 2002


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a' 5 Mixed 1249 ± 2 gas PD CR Pushkarsky, Mann, et al., 2001
Shahu, Yang, et al., 2002
6 CC stretch 1183 ± 2 gas AB PD Hunziker, Kneppe, et al., 1983
Pushkarsky, Mann, et al., 2001
Shahu, Yang, et al., 2002
7 CCH bend 934 ± 2 gas AB PD Hunziker, Kneppe, et al., 1983
Pushkarsky, Mann, et al., 2001
Shahu, Yang, et al., 2002
a 8 Torsion 1168 ± 2 gas PD Pushkarsky, Mann, et al., 2001
9 OPLA 836 ± 2 gas PD Pushkarsky, Mann, et al., 2001

State:   X


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a' 1 CH stretch 3141.0 Ne IR Wu, Lin, et al., 2008
2 CH2 a-stretch 2953.6 Ne IR Wu, Lin, et al., 2008
3 CH2 s-stretch 2901.93 gas LD Dong, Roberts, et al., 2008
3 CH2 s-stretch 2901.86 gas LD Dong, Roberts, et al., 2008
3 CH2 s-stretch 2911.5 Ne IR Wu, Lin, et al., 2008
5 1359.7 Ne IR Wu, Lin, et al., 2008
Wu, Chen, et al., 2009
Jacox and Thompson, 2011
5 1356.7 Ar IR Tanskanen, Khrichtchev, et al., 2005
5 1353.2 Kr IR Tanskanen, Khrichtchev, et al., 2005
5 1348.9 Xe IR Tanskanen, Khrichtchev, et al., 2005
7 674 ± 2 gas PD Pushkarsky, Mann, et al., 2001
7 677.1 Ne IR Wu, Lin, et al., 2008
Jacox and Thompson, 2011
a 8 Mixed OPLA 895.16 gas DL Kanamori, Endo, et al., 1990
8 Mixed OPLA 897.4 Ne IR Forney, Jacox, et al., 1995
Wu, Lin, et al., 2008
Wu, Chen, et al., 2009
Jacox and Thompson, 2011
8 Mixed OPLA 900.8 Ar IR Shepherd, Doyle, et al., 1988
Tanskanen, Khrichtchev, et al., 2005
8 Mixed OPLA 896.6 Kr IR Tanskanen, Khrichtchev, et al., 2005
8 Mixed OPLA 891 Xe IR Khriachtchev, Tanskanen, et al., 2003
Feldman, Sukhov, et al., 2003
Tanskanen, Khrichtchev, et al., 2005
9 857.0 Ne IR Wu, Lin, et al., 2008

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

Notes

oEnergy separation between the v = 0 levels of the excited and electronic ground states.
dPhotodissociation threshold

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