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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 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

Ionization energy determinations

IE (eV) Method Reference Comment
9.7PEZverev, Villem, et al., 1982LBLHLM
10.00 ± 0.05PIWatanabe, Nakayama, et al., 1962RDSH
10.42PEZverev, Villem, et al., 1982Vertical value; LBLHLM
10.20PEKimura, Katsumata, et al., 1981Vertical value; LLK
10.29PEJorgensen, 1981Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H5O+10.69 ± 0.05CH3OEIHolmes and Lossing, 1984LBLHLM
C2H5O+11.1CH3OEIHarrison, Ivko, et al., 1966RDSH
C3H7O2+10.38 ± 0.03HEIMartin, Lampe, et al., 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.

Zverev, Villem, et al., 1982
Zverev, V.V.; Villem, Ya.Ya.; Villem, N.V.; Klimovitskii, E.N.; Arbuzov, B.A., Photoelectron spectra and intramolecular interactions of dimethoxymethane and 4,7-dihydro-1,3-dioxepin, J. Gen. Chem. USSR, 1982, 52, 1674, In original 1888. [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]

Jorgensen, 1981
Jorgensen, F.S., Photoelectron spectrum and molecular orbital (MNDO and PRDDO) study of dimethoxymethane, J. Chem. Res. Synop., 1981, 212. [all data]

Holmes and Lossing, 1984
Holmes, J.L.; Lossing, F.P., Heats of formation of organic radicals from appearance energies, Int. J. Mass Spectrom. Ion Processes, 1984, 58, 113. [all data]

Harrison, Ivko, et al., 1966
Harrison, A.G.; Ivko, A.; Van Raalte, D., Energetics of formation of some oxygenated ions and the proton affinities of carbonyl compounds, Can. J. Chem., 1966, 44, 1625. [all data]

Martin, Lampe, et al., 1966
Martin, R.H.; Lampe, F.W.; Taft, R.W., An electron-impact study of ionization and dissociation in methoxy- and halogen- substituted methanes, J. Am. Chem. Soc., 1966, 88, 1353. [all data]


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