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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:
MM - Michael M. Meot-Ner (Mautner)
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Quantity Value Units Method Reference Comment
Proton affinity (review)876.2kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity825.9kJ/molN/AHunter and Lias, 1998HL

Proton affinity at 298K

Proton affinity (kJ/mol) Reference Comment
>850.4Bouchoux, Buisson, et al., 2003MM
>837.9Bouchoux, Buisson, et al., 2003MM
>857.6 ± 0.5Bouchoux, Buisson, et al., 2003MM

Gas basicity at 298K

Gas basicity (review) (kJ/mol) Reference Comment
820.0Bouchoux, Buisson, et al., 2003MM
808.0Bouchoux, Buisson, et al., 2003MM
827.3 ± 0.2Bouchoux, Buisson, et al., 2003MM

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H5O+10.42 ± 0.05?EIBurgers, Terlouw, et al., 1982LBLHLM
C2H6O+10.80CH2OEIPostma, Ruttink, et al., 1986LBLHLM
C2H6O+11.0 ± 0.1CH2OEIHolmes, Lossing, et al., 1982LBLHLM


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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]

Bouchoux, Buisson, et al., 2003
Bouchoux, G.; Buisson, D.A.; Bourcier, S.; Sablier, M., Application of the kinetic method to bifunctional bases. ESI tandem quadrupole experiments, Int. J. Mass Spectrom., 2003, 228, 1035. [all data]

Burgers, Terlouw, et al., 1982
Burgers, P.C.; Terlouw, J.K.; Holmes, J.L., The vinyloxonium cation, CH2=CH-OH2+, a stable [C2H5O]+ species in the gas phase, Org. Mass Spectrom., 1982, 17, 369. [all data]

Postma, Ruttink, et al., 1986
Postma, R.; Ruttink, P.J.A.; Van Baar, B.; Terlouw, J.K.; Holmes, J.L.; Burgers, P.C., Isometric distonic and H-bridged [C2H6O]+ radical cations, Chem. Phys. Lett., 1986, 123, 409. [all data]

Holmes, Lossing, et al., 1982
Holmes, J.L.; Lossing, F.P.; Terlouw, J.K.; Burgers, P.C., The radical cation [CH2OH2]+ and related stable gas phase ion-dipole complexes, J. Am. Chem. Soc., 1982, 104, 2931. [all data]


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