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2-Butene, 2,3-dimethyl-

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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 C6H12+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)8.27 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)813.9kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity785.9kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.27 ± 0.02PEBieri, Burger, et al., 1977LLK
8.16EILossing and Traeger, 1975LLK
8.271 ± 0.005PEMasclet, Grosjean, et al., 1973LLK
8.26PEFrost and Sandhu, 1971LLK
8.30PIBralsford, Harris, et al., 1960RDSH
8.30PEKovac, Mohraz, et al., 1980Vertical value; LLK
10.52PEMcAlduff and Houk, 1977Vertical value; LLK
8.46PEMollere, Houk, et al., 1976Vertical value; LLK
8.42PEFuss and Bock, 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C5H9+8.16CH3EILossing and Traeger, 1975, 2LLK
C5H9+10.32CH3EILossing and Traeger, 1975LLK

References

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, https://doi.org/10.1063/1.556018 . [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]

Lossing and Traeger, 1975
Lossing, F.P.; Traeger, J.C., Stabilization in cyclopentadienyl, cyclopentenyl, and cyclopentyl cations, J. Am. Chem. Soc., 1975, 97, 1579. [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]

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]

Bralsford, Harris, et al., 1960
Bralsford, R.; Harris, P.V.; Price, W.C., The effect of fluorine on the electronic spectra and ionization potentials of molecules, Proc. Roy. Soc. (London), 1960, A258, 459. [all data]

Kovac, Mohraz, et al., 1980
Kovac, B.; Mohraz, M.; Heilbronner, E.; Boekelheide, V.; Hopf, H., Photoelectron spectra of the cyclophanes, J. Am. Chem. Soc., 1980, 102, 4314. [all data]

McAlduff and Houk, 1977
McAlduff, E.J.; Houk, K.N., Photoelectron spectra of substituted oxiranes and thiiranes. Substituent effects on ionization potentials involving «sigma» orbitals, Can. J. Chem., 1977, 55, 318. [all data]

Mollere, Houk, et al., 1976
Mollere, P.D.; Houk, K.N.; Bomse, D.S.; Morton, T.H., Photoelectron spectra of sterically congested alkenes and dienes, J. Am. Chem. Soc., 1976, 98, 4732. [all data]

Fuss and Bock, 1974
Fuss, W.; Bock, H., Photoelectron spectra and molecular properties. XXXVI. (H3C)3B, (H3C)2BF, (H3C)2BN(CH3)2, and (H3C)2CC(CH3)2: The use of ionization potentials in assigning UV spectra, J. Chem. Phys., 1974, 61, 1613. [all data]

Lossing and Traeger, 1975, 2
Lossing, F.P.; Traeger, J.C., Free radicals by mass spectrometry XLVI. Heats of formation of C5H7 and C5H9 radicals and cations., J. Am. Chem. Soc., 1975, 19, 9. [all data]


Notes

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