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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
L - Sharon G. Lias

Data compiled as indicated in comments:
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 C3H4+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)9.67 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)818.5kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity787.8kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.67 ± 0.01PIParr, Jason, et al., 1980LLK
9.668 ± 0.005TEParr, Jason, et al., 1980LLK
9.70 ± 0.02PEBieri, Burger, et al., 1977LLK
9.7 ± 0.1EIRothgery, Holt, et al., 1975LLK
9.67PERobin, Brundle, et al., 1972LLK
9.64EILossing, 1972LLK
9.70PEBischof and Heilbronner, 1970RDSH
9.86PEPlemenkov, Villem, et al., 1981Vertical value; LLK
9.82PEWiberg, Ellison, et al., 1976Vertical value; LLK
9.86PEClary, Lewis, et al., 1974Vertical value; LLK
9.86PEHaselbach, Heilbronner, et al., 1970Vertical value; RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3H+16.3 ± 0.05H+H2PIParr, Jason, et al., 1980LLK
C3H+15.7 ± 0.1H+H2TEParr, Jason, et al., 1980LLK
C3H2+12.2 ± 0.1H2TEParr, Jason, et al., 1980LLK
C3H2+12.51 ± 0.04H2PIParr, Jason, et al., 1980LLK
C3H3+10.3 ± 0.1HTEParr, Jason, et al., 1980LLK
C3H3+10.59 ± 0.04HPIParr, Jason, et al., 1980LLK
C3H3+10.9 ± 0.1HEIRothgery, Holt, et al., 1975LLK
C3H3+10.54HEILossing, 1972LLK


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, . [all data]

Parr, Jason, et al., 1980
Parr, A.C.; Jason, A.J.; Stockbauer, R., Photoionization and threshold photoelectron-photoion coincidence study of cyclopropene from onset to 20 eV., Int. J. Mass Spectrom. Ion Phys., 1980, 33, 243. [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]

Rothgery, Holt, et al., 1975
Rothgery, E.F.; Holt, J.; McGee, H.A., Jr., Cryochemical synthesis and molecular energetics of cyclopropanone and some related compounds, J. Am. Chem. Soc., 1975, 97, 4971. [all data]

Robin, Brundle, et al., 1972
Robin, M.B.; Brundle, C.R.; Kuebler, N.A.; Ellison, G.B.; Wiberg, K.B., Photoelectron spectra of small rings. IV. The unsaturated three-membered rings, J. Chem. Phys., 1972, 57, 1758. [all data]

Lossing, 1972
Lossing, F.P., Free radicals by mass spectrometry. XLV. Ionization potentials and heats of formation of C3H3, C3H5, and C4H7 radicals and ions, Can. J. Chem., 1972, 50, 3973. [all data]

Bischof and Heilbronner, 1970
Bischof, P.; Heilbronner, E., Photoelektron-Spektren von Cycloalkenen und Cycloalkadienen, Helv. Chim. Acta, 1970, 53, 1677. [all data]

Plemenkov, Villem, et al., 1981
Plemenkov, V.V.; Villem, Y.Y.; Villem, N.V.; Bolesov, I.G.; Surmina, L.S.; Yakushkina, N.I.; Formanovskii, A.A., Photoelectron spectra of polyalkylcyclopropenes and polyalkylcyclopropanes, Zh. Obshch. Khim., 1981, 51, 2076. [all data]

Wiberg, Ellison, et al., 1976
Wiberg, K.B.; Ellison, G.B.; Wendoloski, J.J.; Brundle, C.R.; Kuebler, N.A., Electronic states of organic molecules. 3. Photoelectron spectra of cycloalkenes and methylenecycloalkanes, J. Am. Chem. Soc., 1976, 98, 7179. [all data]

Clary, Lewis, et al., 1974
Clary, D.C.; Lewis, A.A.; Morland, D.; Murrell, J.N.; Heilbronner, E., Ionization potentials of cycloalkenes, J. Chem. Soc. Faraday Trans. 2, 1974, 70, 1889. [all data]

Haselbach, Heilbronner, et al., 1970
Haselbach, E.; Heilbronner, E.; Mannschreck, A.; Seitz, W., Lone pair interaction in 3,3-dimethyldiazirine, Angew. Chem. Int. Ed. Engl., 1970, 9, 902. [all data]


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