Vinyl radical

Formula: C₂H₃
Molecular weight: 27.0452
IUPAC Standard InChI: InChI=1S/C2H3/c1-2/h1H,2H2
IUPAC Standard InChIKey: ORGHESHFQPYLAO-UHFFFAOYSA-N
CAS Registry Number: 2669-89-8
Chemical structure:
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Gas phase thermochemistry data

Go To: Top, Reaction thermochemistry data, Vibrational and/or electronic energy levels, References, Notes

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	299. ± 5.	kJ/mol	N/A	Tsang, 1996

Reaction thermochemistry data

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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

+ Vinyl radical = ( • )

By formula: Cr⁺ + C₂H₃ = (Cr⁺ • C₂H₃)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	247. ± 9.6	kJ/mol	CIDT	Fisher and Armentrout, 1992

Vibrational and/or electronic energy levels

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Data compiled by: Marilyn E. Jacox

State: Ryd

Energy (cm^-1)	Med.	Transition	λ_min (nm)	λ_max (nm)	References


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

cm^-1	Med.	Method	References


1306	gas	AB	Fahr and Laufer, 1988

State: B

Energy (cm^-1)	Med.	Transition	λ_min (nm)	λ_max (nm)	References


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

State: A

Energy (cm^-1)	Med.	λ_min (nm)	λ_max (nm)	References


T_o = 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

Energy separation between the v = 0 levels of the excited and electronic ground states.

Photodissociation threshold

References

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

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]

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, Vibrational and/or electronic energy levels, References

Symbols used in this document:

Δ_fH°_gas Enthalpy of formation of gas at standard conditions

Δ_rH° Enthalpy of reaction at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions