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Gas phase ion energetics data

Go To: Top, References, Notes

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:
B - John E. Bartmess
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

View reactions leading to C2H7N+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)912.0kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity878.kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.9PEOhno, Imai, et al., 1985LBLHLM
8.7PEOhno, Imai, et al., 1983LBLHLM
8.8 ± 0.1PEAue, Webb, et al., 1976LLK
8.74CTSSlifkin and Allison, 1967RDSH
9.19PEAl-Joboury and Turner, 1964RDSH
8.86 ± 0.02PIWatanabe and Mottl, 1957RDSH
9.50PEOhno, Imai, et al., 1985Vertical value; LBLHLM
9.50PEUtsunomiya, Kobayashi, et al., 1980Vertical value; LLK
9.471PEAue, Webb, et al., 1975Vertical value; LLK
9.50PEOgata, Onizuka, et al., 1973Vertical value; LLK
9.44 ± 0.18PELeavell, Steichen, et al., 1973Vertical value; LLK
9.50PEKatsumata, Iwai, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CH2N+15.45?EICollin, Franskin, et al., 1967RDSH
CH3+15.6CH2NH2EISenSharma and Franklin, 1973LLK
CH3N+13.5 ± 0.2CH4EICollin, Franskin, et al., 1967RDSH
CH4N+9.69CH3EILossing, Lam, et al., 1981LLK
CH4N+10.2 ± 0.1CH3EICollin, Franskin, et al., 1967RDSH
CH4N+9.71CH3PIChupka, 1959RDSH
C2H3+16.14?EICollin, Franskin, et al., 1967RDSH
C2H5+13.5 ± 0.2?EICollin, Franskin, et al., 1967RDSH
C2H6N+9.55HEILossing, Lam, et al., 1981LLK
C2H6N+9.61 ± 0.09HEISolka and Russell, 1974LLK
C2H6N+12.0 ± 0.1HEICollin, Franskin, et al., 1967RDSH
NH3+12.99?EICollin, Franskin, et al., 1967RDSH
H4N+12.72 ± 0.02C2H2+HEIHaney and Franklin, 1969RDSH

De-protonation reactions

C2H6N- + Hydrogen cation = Ethylamine

By formula: C2H6N- + H+ = C2H7N

Quantity Value Units Method Reference Comment
Deltar1671. ± 4.6kJ/molG+TSMacKay, Hemsworth, et al., 1976gas phase; B
Quantity Value Units Method Reference Comment
Deltar1638.9 ± 2.9kJ/molIMREMacKay, Hemsworth, et al., 1976gas phase; B


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]

Ohno, Imai, et al., 1985
Ohno, K.; Imai, K.; Harada, Y., Variations in reactivity of lone-pair electrons due to intramolecular hydrogen bonding as observed by penning ionization electron spectroscopy, J. Am. Chem. Soc., 1985, 107, 8078. [all data]

Ohno, Imai, et al., 1983
Ohno, K.; Imai, K.; Matsumoto, S.; Harada, Y., Penning ionization electron spectroscopy of C2H5X (X = NH2, OH, H, Cl, I) relative reactivity of orbital localizing on functional groups upon electrophilic attack by metastable helium atoms, J. Phys. Chem., 1983, 87, 4346. [all data]

Aue, Webb, et al., 1976
Aue, D.H.; Webb, H.M.; Bowers, M.T., Quantitative proton affinities, ionization potentials, and hydrogen affinities of alkylamines, J. Am. Chem. Soc., 1976, 98, 311. [all data]

Slifkin and Allison, 1967
Slifkin, M.A.; Allison, A.C., Measurement of ionization potentials from contact charge transfer spectra, Nature, 1967, 215, 949. [all data]

Al-Joboury and Turner, 1964
Al-Joboury, M.I.; Turner, D.W., Molecular photoelectron spectroscopy. Part II. A summary of ionization potentials, J. Chem. Soc., 1964, 4434. [all data]

Watanabe and Mottl, 1957
Watanabe, K.; Mottl, J.R., Ionization potentials of ammonia and some amines, J. Chem. Phys., 1957, 26, 1773. [all data]

Utsunomiya, Kobayashi, et al., 1980
Utsunomiya, C.; Kobayashi, T.; Nagakura, S., Photoelectron angular distribution measurements for some aliphatic alcohols, amines, halides, Bull. Chem. Soc. Jpn., 1980, 53, 1216. [all data]

Aue, Webb, et al., 1975
Aue, D.H.; Webb, H.M.; Bowers, M.T., Proton affinities, ionization potentials, and hydrogen affinities of nitrogen and oxygen bases. Hybridization effects, J. Am. Chem. Soc., 1975, 97, 4137. [all data]

Ogata, Onizuka, et al., 1973
Ogata, H.; Onizuka, H.; Nihei, Y.; Kamada, H., The photoelectron spectra of alcohols, mercaptans and amines, Bull. Chem. Soc. Jpn., 1973, 46, 3036. [all data]

Leavell, Steichen, et al., 1973
Leavell, S.; Steichen, J.; Franklin, J.L., Photoelectron spectra of intramolecularly hydrogen bonded compounds, J. Chem. Phys., 1973, 59, 4343. [all data]

Katsumata, Iwai, et al., 1973
Katsumata, S.; Iwai, T.; Kimura, K., Photoelectron spectra and sum rule consideration. Higher alkyl amines and alcohols, Bull. Chem. Soc. Jpn., 1973, 46, 3391. [all data]

Collin, Franskin, et al., 1967
Collin, J.E.; Franskin, M.J.; Hyatt, D., Etude par spectrometrie de masse des mechanismes de dissociation dans l'ethylamine et ses homologues deuteres, Bull. Soc. Roy. Sci. Liege, 1967, 36, 318. [all data]

SenSharma and Franklin, 1973
SenSharma, D.K.; Franklin, J.L., Heat of formation of free radicals by mass spectrometry, J. Am. Chem. Soc., 1973, 95, 6562. [all data]

Lossing, Lam, et al., 1981
Lossing, F.P.; Lam, Y.-T.; Maccoll, A., Gas phase heats of formation of alkyl immonium ions, Can. J. Chem., 1981, 59, 2228. [all data]

Chupka, 1959
Chupka, W.A., Effect of unimolecular decay kinetics on the interpretation of appearance potentials, J. Chem. Phys., 1959, 30, 191. [all data]

Solka and Russell, 1974
Solka, B.H.; Russell, M.E., Energetics of formation of some structural isomers of gaseous C2H5O+ C2H6N+ ions, J. Phys. Chem., 1974, 78, 1268. [all data]

Haney and Franklin, 1969
Haney, M.A.; Franklin, J.L., Heats of formation of H3O+, H3S+, and NH4+ by electron impact, J. Chem. Phys., 1969, 50, 2028. [all data]

MacKay, Hemsworth, et al., 1976
MacKay, G.J.; Hemsworth, R.S.; Bohme, D.K., Absolute gas-phase acidities of CH3NH2, C2H5NH2, (CH3)2NH, and (CH3)3N, Can. J. Chem., 1976, 54, 1624. [all data]


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