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MeCH=CHO anion


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 compiled by: John E. Bartmess

Electron affinity of neutral species

EAneutral (eV) Method Reference Comment
1.5700 ± 0.0020N/AYacovitch, Kim, et al., 2011E isomer
1.61060 ± 0.00080N/AYacovitch, Kim, et al., 2011Z isomer. Major isomer formed on deprotonation of propanal
1.590 ± 0.020LPESAlconcel, Deyerl, et al., 2001E-isomer
1.760 ± 0.020LPESAlconcel, Deyerl, et al., 2001Z-isomer
1.735 ± 0.013LPDRömer and Brauman, 1997(Z)-isomer
1.6175 ± 0.0087LPDRömer and Brauman, 1997(E)-isomer
1.6210 ± 0.0060LPDBrinkman, Berger, et al., 1993 
1.611 ± 0.023LPESEllison, Engleking, et al., 1982 
1.687 ± 0.056PDZimmerman, Reed, et al., 1977 

Protonation reactions

C3H5O- + Hydrogen cation = Propanal

By formula: C3H5O- + H+ = C3H6O

Quantity Value Units Method Reference Comment
Deltar365.2 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale
Deltar366.0 ± 2.4kcal/molG+TSCumming and Kebarle, 1978gas phase
Quantity Value Units Method Reference Comment
Deltar358.7 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale
Deltar359.4 ± 2.0kcal/molIMRECumming and Kebarle, 1978gas phase

References

Go To: Top, Gas phase ion energetics data, Notes

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

Yacovitch, Kim, et al., 2011
Yacovitch, T.I.; Kim, J.B.; Garand, E.; van der Poll, D.G.; Neumark, D.M., Slow photoelectron velocity-map imaging spectroscopy of the n-methylvinoxide anion, J. Chem. Phys., 2011, 134, 13, 134307, https://doi.org/10.1063/1.3572269 . [all data]

Alconcel, Deyerl, et al., 2001
Alconcel, L.S.; Deyerl, H.J.; Continetti, R.E., Effects of alkyl substitution on the energetics of enolate anions and radicals, J. Am. Chem. Soc., 2001, 123, 50, 12675-12681, https://doi.org/10.1021/ja0120431 . [all data]

Römer and Brauman, 1997
Römer, B.C.; Brauman, J.I., Electron Photodetachment Spectroscopy of (E) and (Z)-Propionaldehyde Enolate Anions. Electron Affinities of the Stereoisomers of Propionaldehyde Enolate Radicals., J. Am. Chem. Soc., 1997, 119, 8, 2054, https://doi.org/10.1021/ja962482d . [all data]

Brinkman, Berger, et al., 1993
Brinkman, E.A.; Berger, S.; Marks, J.; Brauman, J.I., Molecular Rotation and the Observation of Dipole-Bound States of Anions, J. Chem. Phys., 1993, 99, 10, 7586, https://doi.org/10.1063/1.465688 . [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]

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]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

Cumming and Kebarle, 1978
Cumming, J.B.; Kebarle, P., Summary of gas phase measurements involving acids AH. Entropy changes in proton transfer reactions involving negative ions. Bond dissociation energies D(A-H) and electron affinities EA(A), Can. J. Chem., 1978, 56, 1. [all data]


Notes

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