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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 - E.P. Hunter and S.G. Lias
L - S.G. Lias

Data compiled as indicated in comments:
LL - S.G. Lias and J.F. Liebman
LLK - S.G. Lias, R.D. Levin, and S.A. Kafafi
RDSH - H.M. Rosenstock, K. Draxl, B.W. Steiner, and J.T. Herron

View reactions leading to C4H8O+ (ion structure unspecified)

IE (evaluated)9.40 ± 0.02eVN/AN/AL
Proton affinity (review)822.1kJ/molN/AHunter and Lias, 1998HL
Gas basicity794.7kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV)MethodReferenceComment
9.38 ± 0.05EIHolmes and Lossing, 1991LL
9.38PEBehan, Dean, et al., 1976LLK
9.41SDoucet, Sauvageau, et al., 1972LLK
9.42 ± 0.01SHernandez, 1963RDSH
9.54PIWatanabe, Nakayama, et al., 1962RDSH
9.74PEKimura, Katsumata, et al., 1981Vertical value; LLK
9.71PEGerson, Worley, et al., 1978Vertical value; LLK
9.65PESchmidt and Schweig, 1974Vertical value; LLK
9.53PEPignataro and Distefano, 1974Vertical value; LLK
9.57 ± 0.02PEBain, Bunzli, et al., 1973Vertical value; LLK

Appearance energy determinations

IonAE (eV)Other ProductsMethodReferenceComment
C2H2+17.3 ± 0.3?EIGallegos and Kiser, 1962RDSH
C2H3+16.1 ± 0.3?EIGallegos and Kiser, 1962RDSH
C2H3O+12.8 ± 0.2?EIGallegos and Kiser, 1962RDSH
C2H4O+12.27C2H4EICollin and Conde-Caprace, 1966RDSH
C2H5+15.8 ± 0.2?EIGallegos and Kiser, 1962RDSH
C3H3+18.7 ± 0.6?EIGallegos and Kiser, 1962RDSH
C3H4+15.2 ± 0.3?EIGallegos and Kiser, 1962RDSH
C3H5+13.72?EICollin and Conde-Caprace, 1966RDSH
C3H6+11.54?EICollin and Conde-Caprace, 1966RDSH
C4H7O+10.44HEICollin and Conde-Caprace, 1966RDSH


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. [doi:10.1063/1.556018] [all data]

Holmes and Lossing, 1991
Holmes, J.L.; Lossing, F.P., Ionization energies of homologous organic compounds and correlation with molecular size, Org. Mass Spectrom., 1991, 26, 537. [all data]

Behan, Dean, et al., 1976
Behan, J.M.; Dean, F.M.; Johnstone, R.A.W., Photoelectron spectra of cyclic aromatic ethers. The question of the Mills-Nixon effect, Tetrahedron, 1976, 32, 167. [all data]

Doucet, Sauvageau, et al., 1972
Doucet, J.; Sauvageau, P.; Sandorfy, C., The vacuum ultraviolet spectrum of tetrahydrofuran, Chem. Phys. Lett., 1972, 17, 316. [all data]

Hernandez, 1963
Hernandez, G.J., Vacuum-ultraviolet absorption spectra of the cyclic ethers: trimethylene oxide, tetrahydrofuran, and tetrahydropyran, J. Chem. Phys., 1963, 38, 2233. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Gerson, Worley, et al., 1978
Gerson, S.H.; Worley, S.D.; Bodor, N.; Kaminski, J.J.; Flechtner, T.W., The photoelectron spectra of some heterocyclic compounds which contain N, O, Cl, and Br, J. Electron Spectrosc. Relat. Phenom., 1978, 13, 421. [all data]

Schmidt and Schweig, 1974
Schmidt, H.; Schweig, A., Notiz zur transanularen n/«pi»-Wechselwirkung in 2,5-Dihydrofuran, Chem. Ber., 1974, 107, 725. [all data]

Pignataro and Distefano, 1974
Pignataro, S.; Distefano, G., n-«sigma» mixing in pentatomic heterocyclic compounds of sixth group by photoelectron spectroscopy, Chem. Phys. Lett., 1974, 26, 356. [all data]

Bain, Bunzli, et al., 1973
Bain, A.D.; Bunzli, J.C.; Frost, D.C.; Weiler, L., Photoelectron spectra of cyclic ethers, J. Am. Chem. Soc., 1973, 95, 291. [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]

Collin and Conde-Caprace, 1966
Collin, J.E.; Conde-Caprace, G., Ionization and dissociation of cyclic ethers by electron impact, Intern. J. Mass Spectrom. Ion Phys., 1966, 1, 213. [all data]


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