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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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
LL - Sharon G. Lias and Joel F. Liebman

View reactions leading to C3H7N+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)225.5kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity217.2kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.63 ± 0.02PITarasenko, Tishenkov, et al., 1986LBLHLM
8.3PEAue and Bowers, 1979LLK
8.9EIKiser and Gallegos, 1962RDSH
9.1 ± 0.15EIGallegos and Kiser, 1962RDSH
9.04 ± 0.02PEYoshikawa, Hashimoto, et al., 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CH2N+9.98 ± 0.02C2H5PITarasenko, Tishenkov, et al., 1986LBLHLM
CH2N+13.1 ± 0.2?EIGallegos and Kiser, 1962RDSH
CH3+14.4 ± 1.0?EIGallegos and Kiser, 1962RDSH
CH3N+10.46 ± 0.05C2H4EIHolmes, Lossing, et al., 1992LL
CH3N+10.32 ± 0.08C2H4PITarasenko, Tishenkov, et al., 1986LBLHLM
CH3N+10.46 ± 0.05C2H4EIBurgers, Holmes, et al., 1984LBLHLM
CH4N+12.3 ± 0.2?EIGallegos and Kiser, 1962RDSH
C2H2+16.6 ± 0.5?EIGallegos and Kiser, 1962RDSH
C2H4N+11.9 ± 0.2CH3EIGallegos and Kiser, 1962RDSH
C3H6N+11.4 ± 0.2HEIGallegos and Kiser, 1962RDSH


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.

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]

Tarasenko, Tishenkov, et al., 1986
Tarasenko, N.A.; Tishenkov, A.A.; Zaikin, V.G.; Volkova, V.V.; Gusel'nikov, L.E., Adiabatic ionization energy of methylenimine, Bull. Acad. Sci. USSR, Div. Chem. Sci., 1986, 10, 2196. [all data]

Aue and Bowers, 1979
Aue, D.H.; Bowers, M.T., Chapter 9. Stabilities of positive ions from equilibrium gas phase basicity measurements in Ions Chemistry,, ed. M.T. Bowers, 1979. [all data]

Kiser and Gallegos, 1962
Kiser, R.W.; Gallegos, E.J., A technique for the rapid determination of ionization and appearance potentials, J. Phys. Chem., 1962, 66, 947. [all data]

Gallegos and Kiser, 1962
Gallegos, E.J.; Kiser, R.W., Electron impact spectroscopy of the four- and five-membered, saturated heterocyclic compounds containing nitrogen, oxygen and sulfur, J. Phys. Chem., 1962, 66, 136. [all data]

Yoshikawa, Hashimoto, et al., 1974
Yoshikawa, K.; Hashimoto, M.; Morishima, I., Photoelectron spectroscopic study of cyclic amines. The relation between ionization potentials, basicities, and s character of the nitrogen lone pair electrons, J. Am. Chem. Soc., 1974, 96, 288. [all data]

Holmes, Lossing, et al., 1992
Holmes, J.L.; Lossing, F.P.; Mayer, P.M., Concerning the heats of formation of CH2NH and CH2NH+, Chem. Phys. Lett., 1992, 198, 211. [all data]

Burgers, Holmes, et al., 1984
Burgers, P.C.; Holmes, J.L.; Terlouw, J.K., Gaseous [H2,C,N]+ and [H3,C,N]+ ions. Generation of formation, and dissociation characteristics of [H2CN]+, [HCNH]+, [CNH2]+, [H2CNH]+, and [HCN]+, J. Am. Chem. Soc., 1984, 106, 2762. [all data]


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