EtO anion
- Formula: C2H5O-
- Molecular weight: 45.0610
- CAS Registry Number: 16331-64-9
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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 compiled by: John E. Bartmess
Electron affinity of neutral species
EAneutral (eV) | Method | Reference | Comment |
---|---|---|---|
1.7120 ± 0.0040 | LPES | Ramond, Davico, et al., 2000 | |
1.7150 ± 0.0070 | LPES | Dang, Motell, et al., 1993 | |
1.726 ± 0.033 | LPES | Ellison, Engleking, et al., 1982 | |
1.79 ± 0.10 | D-EA | Bartmess, Scott, et al., 1979 | value altered from reference due to change in acidity scale |
1.68 ± 0.10 | EIAE | Williams and Hamill, 1968 | From EtONO |
>1.7 | EIAE | Trepka and Neuert, 1963 | From EtOH |
0.589753 | SI | Page and Goode, 1969 | The Magnetron method, lacking mass analysis, is not considered reliable. |
Protonation reactions
By formula: C2H5O- + H+ = C2H6O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1587. ± 4.2 | kJ/mol | D-EA | Ramond, Davico, et al., 2000 | gas phase |
ΔrH° | 1582. ± 8.4 | kJ/mol | CIDC | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy. |
ΔrH° | 1579. ± 8.8 | kJ/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
ΔrH° | 1586.2 ± 0.42 | kJ/mol | CIDT | DeTuri and Ervin, 1999 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1559. ± 4.6 | kJ/mol | H-TS | Ramond, Davico, et al., 2000 | gas phase |
ΔrG° | 1554. ± 8.8 | kJ/mol | H-TS | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy. |
ΔrG° | 1551. ± 8.4 | kJ/mol | IMRE | Bartmess, Scott, et al., 1979 | gas 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
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
EAneutral Electron affinity of neutral species ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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