CH2CHO

• Formula: C₂H₃O
• Molecular weight: 43.0446
• IUPAC Standard InChI: InChI=1S/C2H3O/c1-2-3/h2H,1H2 Copy

  
• IUPAC Standard InChIKey: FATAVLOOLIRUNA-UHFFFAOYSA-N Copy
• CAS Registry Number: 4400-01-5
• 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.
• Species with the same structure:
  • Vinyloxy radical
• Information on this page:
  • Gas phase ion energetics data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• 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

View reactions leading to C₂H₃O⁺ (ion structure unspecified)

Electron affinity determinations

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:   B

State:   A

State:   X

Additional references: Jacox, 1994, page 317; Jacox, 1998, page 313; Jacox, 2003, page 317; Endo, Saito, et al., 1985; Endo and Hirota, 1988; Barnhard, He, et al., 1996; Hansen, Mader, et al., 2001

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]

Goebbert, Khuseynov, et al., 2011
Goebbert, D.J.; Khuseynov, D.; Sanov, A., O- + Acetaldehyde Reaction Products: Search for Singlet Formylmethylene, a Wolff Rearrangement intermediate, J. Phys. Chem. A, 2011, 115, 15, 3208-3217, https://doi.org/10.1021/jp112331y . [all data]

Mead, Lykke, et al., 1984
Mead, R.D.; Lykke, K.R.; Lineberger, W.C.; Marks, J.; Brauman, J.I., Spectroscopy and Dynamics of the Dipole-Bound State of Acetaldehyde Enolate., J. Chem. Phys., 1984, 81, 11, 4883., https://doi.org/10.1063/1.447515 . [all data]

Ellison, Engleking, et al., 1982
Ellison, G.B.; Engleking, P.C.; Lineberger, W.C., Photoelectron spectroscopy of alkoxide and enolate negative ions, J. Phys. Chem., 1982, 86, 4873. [all data]

Alconcel, Deyerl, et al., 1999
Alconcel, L.S.; Deyerl, H.J.; Zengin, V.; Continetti, R.E., Structure and energetics of vinoxide and the X((2)A) and A((2)A') vinoxy radicals, J. Phys. Chem. A, 1999, 103, 46, 9190-9194, https://doi.org/10.1021/jp992126s . [all data]

Jackson, Hiberty, et al., 1981
Jackson, R.L.; Hiberty, P.C.; Brauman, J.I., Threshold Resonances in the Electron Photodetachment spectrum of Acetaldehyde Anion. Evidence for a low-lying Dipole Supported State., J. Chem. Phys., 1981, 74, 7, 3705, https://doi.org/10.1063/1.441598 . [all data]

Zimmerman, Reed, et al., 1977
Zimmerman, A.H.; Reed, K.J.; Brauman, J.I., Photodetachment of electrons from enolate anions. Gas phase electron affinities of enolate radicals, J. Am. Chem. Soc., 1977, 99, 7203. [all data]

Ramsay, 1965
Ramsay, D.A., Electronic Spectra of Polyatomic Molecules---A Brief Survey, J. Chem. Phys., 1965, 43, 10, S18, https://doi.org/10.1063/1.1701486 . [all data]

Inoue and Akimoto, 1981
Inoue, G.; Akimoto, H., Laser-induced fluorescence of the C2H3O radical, J. Chem. Phys., 1981, 74, 1, 425, https://doi.org/10.1063/1.440848 . [all data]

Kleinermanns and Luntz, 1981
Kleinermanns, K.; Luntz, A.C., Laser-induced fluorescence of CH2CHO produced in the crossed molecular beam reactions of O(3P) with olefins, J. Phys. Chem., 1981, 85, 14, 1966, https://doi.org/10.1021/j150614a003 . [all data]

DiMauro, Heaven, et al., 1984
DiMauro, L.F.; Heaven, M.; Miller, T.A., Laser induced fluorescence study of the B 2A´´ → X 2A´´ transition of the vinoxy radical in a supersonic free jet expansion, J. Chem. Phys., 1984, 81, 5, 2339, https://doi.org/10.1063/1.447932 . [all data]

Gejo, Takayanagi, et al., 1993
Gejo, T.; Takayanagi, M.; Kono, T.; Hanazaki, I., Chem. Lett, 1993, 2065. [all data]

Wan, Chen, et al., 1996
Wan, R.; Chen, X.; Wu, F.; Weiner, B.R., Observation of new vibronic transitions in the manifold of the CH2CHO radical, Chem. Phys. Lett., 1996, 260, 5-6, 539, https://doi.org/10.1016/0009-2614(96)00889-5 . [all data]

Osborn, Choi, et al., 1997
Osborn, D.L.; Choi, H.; Mordaunt, D.H.; Bise, R.T.; Neumark, D.M.; Rohlfing, C.M., Fast beam photodissociation spectroscopy and dynamics of the vinoxy radical, J. Chem. Phys., 1997, 106, 8, 3049, https://doi.org/10.1063/1.473419 . [all data]

Brock and Rohlfing, 1997
Brock, L.R.; Rohlfing, E.A., Spectroscopic studies of the B [sup 2]A[sup ´´]-X [sup 2]A[sup ´´] system of the jet-cooled vinoxy radical, J. Chem. Phys., 1997, 106, 24, 10048, https://doi.org/10.1063/1.474091 . [all data]

Nagai, Carter, et al., 2000
Nagai, H.; Carter, R.T.; Huber, J.R., Spectroscopy and dynamics of selected rotational levels in the state of the vinoxy radical, Chem. Phys. Lett., 2000, 331, 5-6, 425, https://doi.org/10.1016/S0009-2614(00)01199-4 . [all data]

Hunziker, Kneppe, et al., 1981
Hunziker, H.E.; Kneppe, H.; Wendt, H.R., Photochemical modulation spectroscopy of oxygen atom reactions with olefins, J. Photochem., 1981, 17, 2, 377, https://doi.org/10.1016/0047-2670(81)85380-4 . [all data]

Alconcel, Deyerl, et al., 1999, 2
Alconcel, L.S.; Deyerl, H.-J.; Zengin, V.; Continetti, R.E., Structure and Energetics of Vinoxide and the X(, J. Phys. Chem. A, 1999, 103, 46, 9190, https://doi.org/10.1021/jp992126s . [all data]

Yacovitch, Garand, et al., 2009
Yacovitch, T.I.; Garand, E.; Neumark, D.M., Slow photoelectron velocity-map imaging spectroscopy of the vinoxide anion, J. Chem. Phys., 2009, 130, 24, 244309, https://doi.org/10.1063/1.3157208 . [all data]

Thomas, Chhantyal-Pun, et al., 2010
Thomas, P.S.; Chhantyal-Pun, R.; Kline, N.D.; Miller, T.A., The A-X absorption of vinoxy radical revisited: Normal and Herzberg--Teller bands observed via cavity ringdown spectroscopy, J. Chem. Phys., 2010, 132, 11, 114302, https://doi.org/10.1063/1.3352976 . [all data]

Utkin, Han, et al., 2003
Utkin, Yu.G.; Han, J.-X.; Sun, F.; Chen, H.-B.; Scott, G.; Curl, R.F., High-resolution jet-cooled and room temperature infrared spectra of the ν[sub 3] CH stretch of vinoxy radical, J. Chem. Phys., 2003, 118, 23, 10470, https://doi.org/10.1063/1.1573634 . [all data]

Jacox, 1982
Jacox, M.E., The reaction of F atoms with acetaldehyde and ethylene oxide. Vibrational spectra of the CH3CO and CH2CHO free radicals trapped in solid argon, Chem. Phys., 1982, 69, 3, 407, https://doi.org/10.1016/0301-0104(82)88079-8 . [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]

Endo, Saito, et al., 1985
Endo, Y.; Saito, S.; Hirota, E., The microwave spectrum of the vinoxy radical, J. Chem. Phys., 1985, 83, 5, 2026, https://doi.org/10.1063/1.449345 . [all data]

Endo and Hirota, 1988
Endo, Y.; Hirota, E., The submillimeter-wave spectrum of the deuterated vinoxy radical, CD2CDO, J. Mol. Spectrosc., 1988, 127, 2, 535, https://doi.org/10.1016/0022-2852(88)90140-3 . [all data]

Barnhard, He, et al., 1996
Barnhard, K.I.; He, M.; Weiner, B.R., Excited-State Dynamics of CH, J. Phys. Chem., 1996, 100, 8, 2784, https://doi.org/10.1021/jp952457e . [all data]

Hansen, Mader, et al., 2001
Hansen, N.; Mader, H.; Temps, F., Rotational Transitions of the CH2CHO Radical Detected by Pulsed Laser Photolysis--Molecular Beam--Fourier-Transform Microwave Spectroscopy, J. Mol. Spectrosc., 2001, 209, 2, 278, https://doi.org/10.1006/jmsp.2001.8431 . [all data]

Notes

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

• Symbols used in this document:
  

  EA	Electron affinity

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