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EtO 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
1.7120 ± 0.0040LPESRamond, Davico, et al., 2000 
1.7150 ± 0.0070LPESDang, Motell, et al., 1993 
1.726 ± 0.033LPESEllison, Engleking, et al., 1982 
1.79 ± 0.10D-EABartmess, Scott, et al., 1979value altered from reference due to change in acidity scale
1.68 ± 0.10EIAEWilliams and Hamill, 1968From EtONO
>1.7EIAETrepka and Neuert, 1963From EtOH
0.589753SIPage and Goode, 1969The Magnetron method, lacking mass analysis, is not considered reliable.

Protonation reactions

C2H5O- + Hydrogen cation = Ethanol

By formula: C2H5O- + H+ = C2H6O

Quantity Value Units Method Reference Comment
Deltar379.2 ± 1.0kcal/molD-EARamond, Davico, et al., 2000gas phase
Deltar378.0 ± 2.0kcal/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.
Deltar377.4 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale
Deltar379.10 ± 0.10kcal/molCIDTDeTuri and Ervin, 1999gas phase
Quantity Value Units Method Reference Comment
Deltar372.6 ± 1.1kcal/molH-TSRamond, Davico, et al., 2000gas phase
Deltar371.4 ± 2.1kcal/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.
Deltar370.8 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale

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.

Ramond, Davico, et al., 2000
Ramond, T.M.; Davico, G.E.; Schwartz, R.L.; Lineberger, W.C., Vibronic structure of alkoxy radicals via photoelectron spectroscopy, J. Chem. Phys., 2000, 112, 3, 1158-1169, https://doi.org/10.1063/1.480767 . [all data]

Dang, Motell, et al., 1993
Dang, T.T.; Motell, E.L.; Travers, M.J.; Clifford, E.P.; Ellison, G.B.; Depuy, C.H.; Bierbaum, V.M., Experimental and Computational Studies of Deuterated Ethanols - Gas-Phase Acidities, Electron Affinities and Bond Dissociation Energies, Int. J. Mass Spectrom. Ion Proc., 1993, 123, 3, 171, https://doi.org/10.1016/0168-1176(93)87096-B . [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]

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]

Williams and Hamill, 1968
Williams, J.M.; Hamill, W.H., Ionization potentials of molecules and free radicals and appearance potentials by electron impact in the mass spectrometer, J. Chem. Phys., 1968, 49, 4467. [all data]

Trepka and Neuert, 1963
Trepka, L.v.; Neuert, H., Uber die Entstehenung von Negativen Ionen aus einigen Kohlenwasserstoffen und Alkoholen durch Elektronenstoss, Z. Naturfor., 1963, 18A, 1295. [all data]

Page and Goode, 1969
Page, F.M.; Goode, G.C., Negative Ions and the Magnetron., Wiley, NY, 1969. [all data]

Haas and Harrison, 1993
Haas, M.J.; Harrison, A.G., The Fragmentation of Proton-Bound Cluster Ions and the Gas-Phase Acidities of Alcohols, Int. J. Mass Spectrom. Ion Proc., 1993, 124, 2, 115, https://doi.org/10.1016/0168-1176(93)80003-W . [all data]

DeTuri and Ervin, 1999
DeTuri, V.F.; Ervin, K.M., Competitive threshold collision-induced dissociation: Gas-phase acidities and bond dissociation energies for a series of alcohols, J. Phys. Chem. A, 1999, 103, 35, 6911-6920, https://doi.org/10.1021/jp991459m . [all data]


Notes

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