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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
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
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 C2H4+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.5138 ± 0.0006eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)680.5kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity651.5kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Δf(+) ion1067. ± 0.8kJ/molN/AN/A 
Quantity Value Units Method Reference Comment
ΔfH(+) ion,0K1080.kJ/molN/AN/A 

Ionization energy determinations

IE (eV) Method Reference Comment
10.51CIOhno, Okamura, et al., 1995LL
10.5138 ± 0.0006LSWilliams and Cool, 1991LL
10.51 ± 0.015EIPlessis and Marmet, 1986LBLHLM
10.509 ± 0.005EVALPlessis and Marmet, 1986LBLHLM
10.51PEKimura, Katsumata, et al., 1981LLK
10.50 ± 0.02PIWood and Taylor, 1979LLK
10.514 ± 0.007PECarlier and Botter, 1979LLK
10.51PESell, Mintz, et al., 1978LLK
10.51 ± 0.02PEBieri, Burger, et al., 1977LLK
~10.5EIVan Veen, 1976LLK
10.517 ± 0.002TEStockbauer and Inghram, 1975LLK
10.517 ± 0.003TEStockbauer and Inghram, 1975, 2LLK
10.51PIRabalais, Debies, et al., 1974LLK
10.5EIMaeda, Suzuki, et al., 1974LLK
10.507 ± 0.004PIKnowles and Nicholson, 1974LLK
10.51 ± 0.01EIGordon, Krige, et al., 1974LLK
10.515 ± 0.003PEMasclet, Grosjean, et al., 1973LLK
10.51PEBeez, Bieri, et al., 1973LLK
10.51PEMason, Kuppermann, et al., 1972LLK
10.51PEBrundle, Robin, et al., 1972LLK
10.56PEFrost and Sandhu, 1971LLK
10.51 ± 0.02PEBranton, Frost, et al., 1970RDSH
10.51 ± 0.05PEEland, 1969RDSH
10.50 ± 0.05EIWilliams and Hamill, 1968RDSH
10.51PEBaker, Baker, et al., 1968RDSH
10.511 ± 0.005PIBrehm, 1966RDSH
10.50 ± 0.01PIBotter, Dibeler, et al., 1966RDSH
10.507 ± 0.004PINicholson, 1965RDSH
10.50 ± 0.02PIMomigny, 1963RDSH
10.52 ± 0.01PIWatanabe, 1954RDSH
10.51 ± 0.03SPrice and Tutte, 1940RDSH
10.80 ± 0.05EIKusch, Hustrulid, et al., 1937RDSH
10.68PEBieri and Asbrink, 1980Vertical value; LLK
10.50 ± 0.01PEKrause, Taylor, et al., 1978Vertical value; LLK
10.5PEKobayashi, 1978Vertical value; LLK
10.5PEWhite, Carlson, et al., 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C+≤18.30 ± 0.16CH4EIPlessis and Marmet, 1986LBLHLM
C+24.4?EIMaeda, Suzuki, et al., 1974LLK
C+24.6 ± 0.5?EIKusch, Hustrulid, et al., 1937RDSH
CH+17.68 ± 0.16CH3EIPlessis and Marmet, 1986LBLHLM
CH+22.1?EIMaeda, Suzuki, et al., 1974LLK
CH+22.9 ± 0.5?EIKusch, Hustrulid, et al., 1937RDSH
CH2+17.82 ± 0.06CH2EIPlessis and Marmet, 1986LBLHLM
CH2+18.04 ± 0.04CH2TEStockbauer and Inghram, 1975, 2LLK
CH2+18.4CH2EIMaeda, Suzuki, et al., 1974LLK
CH2+18.05CH2PIChupka, Berkowitz, et al., 1969RDSH
CH2+19.2 ± 0.3?EIKusch, Hustrulid, et al., 1937RDSH
CH3+15.60 ± 0.20CH-EIPlessis and Marmet, 1986LBLHLM
CH3+16.95 ± 0.15CHEIPlessis and Marmet, 1986LBLHLM
CH3+19.3?EIMaeda, Suzuki, et al., 1974LLK
CH4+18.66C-EIPlessis and Marmet, 1986LBLHLM
C2+24.5?EIMaeda, Suzuki, et al., 1974LLK
C2+26.4 ± 1.02H+H2EIKusch, Hustrulid, et al., 1937RDSH
C2H+18.7H+H2EIMaeda, Suzuki, et al., 1974LLK
C2H+19.2 ± 1.0H+H2EIKusch, Hustrulid, et al., 1937RDSH
C2H2+13.14 ± 0.03H2EIPlessis and Marmet, 1986LBLHLM
C2H2+13.2 ± 0.1H2PIPECOBombach, Dannacher, et al., 1984T = 0K; LBLHLM
C2H2+13.55H2PIWood and Taylor, 1979LLK
C2H2+13.13 ± 0.04H2EIGordon, Harvey, et al., 1977LLK
C2H2+13.0 ± 0.1H2EIGordon, Harvey, et al., 1977LLK
C2H2+13.14 ± 0.01H2TEStockbauer and Inghram, 1975, 2LLK
C2H2+13.1H2EIMaeda, Suzuki, et al., 1974LLK
C2H2+13.11 ± 0.02H2EIGordon, Krige, et al., 1974LLK
C2H2+13.13 ± 0.02H2PIChupka, Berkowitz, et al., 1969RDSH
C2H2+12.96 ± 0.02H2PIBrehm, 1966RDSH
C2H2+13.12 ± 0.03H2PIBotter, Dibeler, et al., 1966RDSH
C2H2+13.4 ± 0.2H2EIKusch, Hustrulid, et al., 1937RDSH
C2H3+12.35 ± 0.10H-EIPlessis and Marmet, 1986LBLHLM
C2H3+13.10 ± 0.08HEIPlessis and Marmet, 1986LBLHLM
C2H3+13.3 ± 0.1HPIPECOBombach, Dannacher, et al., 1984T = 0K; LBLHLM
C2H3+13.55HPIWood and Taylor, 1979LLK
C2H3+13.22 ± 0.02HTEStockbauer and Inghram, 1975, 2LLK
C2H3+13.6HEIMaeda, Suzuki, et al., 1974LLK
C2H3+13.31 ± 0.03HEIGordon, Krige, et al., 1974LLK
C2H3+13.52 ± 0.04HEIFinney and Harrison, 1972LLK
C2H3+13.25 ± 0.05HPIChupka, Berkowitz, et al., 1969RDSH
C2H3+13.37 ± 0.03HPIBrehm, 1966RDSH
C2H3+14.1 ± 0.1HEIKusch, Hustrulid, et al., 1937RDSH
H+18.66 ± 0.05C2H3C2H3Shiromaru, Achiba, et al., 1987LBLHLM
H+26.2 ± 1.5C2H3EIKusch, Hustrulid, et al., 1937RDSH
H2+22.4 ± 1.5?EIKusch, Hustrulid, et al., 1937RDSH

De-protonation reactions

C2H3- + Hydrogen cation = Ethylene

By formula: C2H3- + H+ = C2H4

Quantity Value Units Method Reference Comment
Δr1704. ± 9.kJ/molAVGN/AAverage of 5 out of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Δr1677.8 ± 2.1kJ/molIMREErvin, Gronert, et al., 1990gas phase; B
Δr1670. ± 8.8kJ/molH-TSDePuy, Gronert, et al., 1989gas phase; B
Δr1668. ± 21.kJ/molH-TSPeerboom, Rademaker, et al., 1992gas phase; B
Δr>1661.0kJ/molIMRBFroelicher, Freiser, et al., 1986gas 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, . [all data]

Ohno, Okamura, et al., 1995
Ohno, K.; Okamura, K.; Yamakado, H.; Hoshino, S.; Takami, T.; Yamauchi, M., Penning ionization of HCHO, CH2CH2, and CH2CHCHO by collision with He*(2 3S) metastable atoms, J. Phys. Chem., 1995, 99, 14247. [all data]

Williams and Cool, 1991
Williams, B.A.; Cool, T.A., Two-photon spectroscopy of Rydberg states of jet-cooled C2H4 and C2D4, J. Am. Chem. Soc., 1991, 94, 6358. [all data]

Plessis and Marmet, 1986
Plessis, P.; Marmet, P., Electroionization study of ethylene: Ionization and appearance energies, ion-pair formations, and negative ions, Can. J. Phys., 1986, 65, 165. [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]

Wood and Taylor, 1979
Wood, K.V.; Taylor, J.W., A photoionization mass spectrometric study of autoionization in ethylene and trans-2-butene, Int. J. Mass Spectrom. Ion Phys., 1979, 30, 307. [all data]

Carlier and Botter, 1979
Carlier, J.; Botter, R., Photoelectron spectra of ethylene of the six deuterated derivatives, J. Electron Spectrosc. Relat. Phenom., 1979, 17, 91. [all data]

Sell, Mintz, et al., 1978
Sell, J.A.; Mintz, D.M.; Kupperman, A., Photoelectron angular distributions of carbon-carbon π electrons in ethylene, benzene, and their fluorinated derivatives, Chem. Phys. Lett., 1978, 58, 601. [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]

Van Veen, 1976
Van Veen, E.H., Low-energy electron-impact spectroscopy on ethylene, Chem. Phys. Lett., 1976, 41, 540. [all data]

Stockbauer and Inghram, 1975
Stockbauer, R.; Inghram, M.G., Vibrational structure in the ground state of ethylene ethylene-d4 molecular ions investigated by threshold photoelectron spectroscopy, J. Electron Spectrosc. Relat. Phenom., 1975, 7, 492. [all data]

Stockbauer and Inghram, 1975, 2
Stockbauer, R.; Inghram, M.G., Threshold photoelectron-photoion coincidence mass spectrometric study of ethylene and ethylene-d4, J. Chem. Phys., 1975, 62, 4862. [all data]

Rabalais, Debies, et al., 1974
Rabalais, J.W.; Debies, T.P.; Berkosky, J.L.; Huang, J.-T.J.; Ellison, F.O., Calculated photoionization cross sections relative experimental photoionization intensities for a selection of small molecules, J. Chem. Phys., 1974, 61, 516. [all data]

Maeda, Suzuki, et al., 1974
Maeda, K.; Suzuki, I.H.; Koyama, Y., Ionization efficiency curves of ethylene by electron impact, Int. J. Mass Spectrom. Ion Phys., 1974, 14, 273. [all data]

Knowles and Nicholson, 1974
Knowles, D.J.; Nicholson, A.J.C., Ionization energies of formic and acetic acid monomers, J. Chem. Phys., 1974, 60, 1180. [all data]

Gordon, Krige, et al., 1974
Gordon, S.M.; Krige, G.J.; Reid, N.W., Isotope effects in the unimolecular decomposition of ethylene by low-energy electron impact, Int. J. Mass Spectrom. Ion Phys., 1974, 14, 109. [all data]

Masclet, Grosjean, et al., 1973
Masclet, P.; Grosjean, D.; Mouvier, G., Alkene ionization potentials. Part I. Quantitative determination of alkyl group structural effects, J. Electron Spectrosc. Relat. Phenom., 1973, 2, 225. [all data]

Beez, Bieri, et al., 1973
Beez, M.; Bieri, G.; Bock, H.; Heilbronner, E., The ionization potentials of butadiene, hexatriene, andtheir methyl derivatives: evidence for through space interaction between double bond π-orbitals and non-bonded pseudo-π orbitals of methyl groups?, Helv. Chim. Acta, 1973, 56, 1028. [all data]

Mason, Kuppermann, et al., 1972
Mason, D.C.; Kuppermann, A.; Mintz, D.M., Angular distribution of electrons from the photoionization of ethylene in Electron Spectroscopy, ed. D.A. Shirley (North Holland, Amsterdam), 1972, 269. [all data]

Brundle, Robin, et al., 1972
Brundle, C.R.; Robin, M.B.; Kuebler, N.A.; Basch, H., Perfluoro effect in photoelectron spectroscopy. I. Nonaromatic molecules, J. Am. Chem. Soc., 1972, 94, 1451. [all data]

Frost and Sandhu, 1971
Frost, D.C.; Sandhu, J.S., Ionization potentials of ethylene and some methyl-substituted ethylenes as determined by photoelectron spectroscopy, Indian J. Chem., 1971, 9, 1105. [all data]

Branton, Frost, et al., 1970
Branton, G.R.; Frost, D.C.; Makita, T.; McDowell, C.A.; Stenhouse, I.A., Photoelectron spectra of ethylene and ethylene-d4, J. Chem. Phys., 1970, 52, 802. [all data]

Eland, 1969
Eland, J.H.D., Photoelectron spectra of conjugated hydrocarbons and heteromolecules, Intern. J. Mass Spectrom. Ion Phys., 1969, 2, 471. [all data]

Williams and Hamill, 1968
Williams, J.M.; Hamill, W.H., Ionization potentials of molecules and free radicals and appearance potentials by electron impact in the mass spectrometer, J. Chem. Phys., 1968, 49, 4467. [all data]

Baker, Baker, et al., 1968
Baker, A.D.; Baker, C.; Brundle, C.R.; Turner, D.W., The electronic structures of methane, ethane, ethylene and formaldehyde studied by high-resolution molecular photoelectron spectroscopy, Intern. J. Mass Spectrom. Ion Phys., 1968, 1, 285. [all data]

Brehm, 1966
Brehm, B., Massenspektrometrische Untersuchung der Photoionisation von Molekulen, Z. Naturforsch., 1966, 21a, 196. [all data]

Botter, Dibeler, et al., 1966
Botter, R.; Dibeler, V.H.; Walker, J.A.; Rosenstock, H.M., Mass-spectrometric study of photoionization. IV.Ethylene and 1,2-dideuteroethylene, J. Chem. Phys., 1966, 45, 1298. [all data]

Nicholson, 1965
Nicholson, A.J.C., Photoionization-efficiency curves. II. False and genuine structure, J. Chem. Phys., 1965, 43, 1171. [all data]

Momigny, 1963
Momigny, J., Ionization potentials and the structures of the photo-ionization yield curves of ethylene and its halogeno derivatives, Nature, 1963, 199, 1179. [all data]

Watanabe, 1954
Watanabe, K., Photoionization and total absorption cross section of gases. I. Ionization potentials of several molecules. Cross sections of NH3 and NO, J. Chem. Phys., 1954, 22, 1564. [all data]

Price and Tutte, 1940
Price, W.C.; Tutte, W.T., The absorption spectra of ethylene, deutero-ethylene and some alkyl-substituted ethylenes in the vacuum ultra-violet, Proc. Roy. Soc. (London), 1940, A174, 207. [all data]

Kusch, Hustrulid, et al., 1937
Kusch, P.; Hustrulid, A.; Tate, J.T., The dissociation of HCN, C2H2, C2N2 and C2H4 by electron impact, Phys. Rev., 1937, 52, 843. [all data]

Bieri and Asbrink, 1980
Bieri, G.; Asbrink, L., 30.4-nm He(II) photoelectron spectra of organic molecules, J. Electron Spectrosc. Relat. Phenom., 1980, 20, 149. [all data]

Krause, Taylor, et al., 1978
Krause, D.A.; Taylor, J.W.; Fenske, R.F., An analysis of the effects of alkyl substituents on the ionization potentials of n-alkenes, J. Am. Chem. Soc., 1978, 100, 718. [all data]

Kobayashi, 1978
Kobayashi, T., A simple general tendency in photoelectron angular distributions of some monosubstituted benzenes, Phys. Lett., 1978, 69, 105. [all data]

White, Carlson, et al., 1974
White, R.M.; Carlson, T.A.; Spears, D.P., Angular distribution of the photoelectron spectra for ethylene, propylene, butene and butadiene, J. Electron Spectrosc. Relat. Phenom., 1974, 3, 59. [all data]

Chupka, Berkowitz, et al., 1969
Chupka, W.A.; Berkowitz, J.; Refaey, K.M.A., Photoionization of ethylene with mass analysis, J. Chem. Phys., 1969, 50, 1938. [all data]

Bombach, Dannacher, et al., 1984
Bombach, R.; Dannacher, J.; Stadelmann, J.-P., The rate/energy functions for the competitive fragmentation processes of ethylene and ethane cations, Int. J. Mass Spectrom. Ion Processes, 1984, 58, 217. [all data]

Gordon, Harvey, et al., 1977
Gordon, S.M.; Harvey, G.A.; Jackson, J.R.; Tresling, J.D.; Van Niekerk, J.M., Computer-assisted retarding potential difference system for ionization efficiency measurements, Int. J. Mass Spectrom. Ion Phys., 1977, 23, 259. [all data]

Finney and Harrison, 1972
Finney, C.D.; Harrison, A.G., A third-derivative method for determining electron-impact onset potentials, Int. J. Mass Spectrom. Ion Phys., 1972, 9, 221. [all data]

Shiromaru, Achiba, et al., 1987
Shiromaru, H.; Achiba, Y.; Kimura, K.; Lee, Y.T., Determination of the C-H bond dissociation energies of ethylene and acetylene by observation of the threshold energies of H+ formation by synchrotron radiation, J. Phys. Chem., 1987, 91, 17. [all data]

Ervin, Gronert, et al., 1990
Ervin, K.M.; Gronert, S.; Barlow, S.E.; Gilles, M.K.; Harrison, A.G.; Bierbaum, V.M.; DePuy, C.H.; Lin, W.C., Bonds Strengths of Ethylene and Acetylene, J. Am. Chem. Soc., 1990, 112, 15, 5750, . [all data]

DePuy, Gronert, et al., 1989
DePuy, C.H.; Gronert, S.; Barlow, S.E.; Bierbaum, V.M.; Damrauer, R., The Gas Phase Acidities of the Alkanes, J. Am. Chem. Soc., 1989, 111, 6, 1968, . [all data]

Peerboom, Rademaker, et al., 1992
Peerboom, R.A.L.; Rademaker, G.J.; Dekoning, L.J.; Nibbering, N.M.M., Stabilization of Cycloalkyl Carbanions in the Gas Phase, Rapid Commun. Mass Spectrom., 1992, 6, 6, 394, . [all data]

Froelicher, Freiser, et al., 1986
Froelicher, S.W.; Freiser, B.S.; Squires, R.R., The C3H5- isomers. Experimental and theoretical studies of the tautomeric propenyl ions and the cyclopropyl anion in the gas phase, J. Am. Chem. Soc., 1986, 108, 2853. [all data]


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