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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
LL - Sharon G. Lias and Joel F. Liebman

View reactions leading to C6H6+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
9.93 ± 0.05EIRosenstock, McCulloh, et al., 1977LLK
9.98 ± 0.05PIRosenstock, McCulloh, et al., 1977LLK
9.90 ± 0.02PEBieri, Burger, et al., 1977LLK
9.87 ± 0.03EIGross and Aerni, 1973LLK
10.35EIMomigny, Brakier, et al., 1962RDSH
10.0PEBieri, Asbrink, et al., 1982Vertical value; LBLHLM
10.48PEBischof, Gleiter, et al., 1975Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3H3+12.17?EIMomigny, Brakier, et al., 1962RDSH
C4H2+15.02?EIMomigny, Brakier, et al., 1962RDSH
C4H3+15.45?EIMomigny, Brakier, et al., 1962RDSH
C4H4+10.42 ± 0.08C2H2PIRosenstock, McCulloh, et al., 1977LLK
C4H4+10.5 ± 0.1C2H2EIRosenstock, McCulloh, et al., 1977LLK
C4H4+11.4C2H2EIMomigny, Brakier, et al., 1962RDSH
C5H3+11.9 ± 0.2?PIKompe, Peel, et al., 1993LL
C6H4+11.17H2EIMomigny, Brakier, et al., 1962RDSH
C6H5+10.16 ± 0.08HPIRosenstock, McCulloh, et al., 1977LLK
C6H5+10.21 ± 0.03HEIGross and Aerni, 1973LLK
C6H5+11.47HEIMomigny, Brakier, et al., 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.

Rosenstock, McCulloh, et al., 1977
Rosenstock, H.M.; McCulloh, K.E.; Lossing, F.P., On the mechanisms of C6H6 ionization fragmentation, Int. J. Mass Spectrom. Ion Phys., 1977, 25, 327. [all data]

Bieri, Burger, et al., 1977
Bieri, G.; Burger, F.; Heilbronner, E.; Maier, J.P., Valence ionization enrgies of hydrocarbons, Helv. Chim. Acta, 1977, 60, 2213. [all data]

Gross and Aerni, 1973
Gross, M.L.; Aerni, R.J., The unusual loss of hydrogen from ionized 1,5-hexadiyne, J. Am. Chem. Soc., 1973, 95, 7875. [all data]

Momigny, Brakier, et al., 1962
Momigny, J.; Brakier, L.; D'Or, L., Comparaison entre les effets de l'impact electronique sur le benzene et sur les isomeres du benzene en chaine ouverte, Bull. Classe Sci. Acad. Roy. Belg., 1962, 48, 1002. [all data]

Bieri, Asbrink, et al., 1982
Bieri, G.; Asbrink, L.; Von Niessen, W., 30.4-nm He(II) photoelectron spectra of organic molecules, J. Electron Spectrosc. Relat. Phenom., 1982, 27, 129. [all data]

Bischof, Gleiter, et al., 1975
Bischof, P.; Gleiter, R.; Hopf, H.; Lenich, F.T., Photoelectron spectra of open chain C6H6 isomers, J. Am. Chem. Soc., 1975, 97, 5467. [all data]

Kompe, Peel, et al., 1993
Kompe, B.; Peel, J.B.; Traeger, J.C., A theoretical and experimental study of the structures and stabilities of the [C5H3]+ cation, Org. Mass Spectrom., 1993, 28, 1253. [all data]


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