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Furan, 2-methyl-

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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:
B - John E. Bartmess
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

Quantity Value Units Method Reference Comment
IE (evaluated)8.38 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)207.0kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity199.2kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.38PEVeszpremi, Nyulaszi, et al., 1987LBLHLM
8.57EISpilker and Grutzmacher, 1986LBLHLM
8.38PEKobayashi, Kubota, et al., 1982LBLHLM
8.39 ± 0.01EQLias and Ausloos, 1978LLK
8.39 ± 0.01PIWatanabe, Nakayama, et al., 1962RDSH
8.31 ± 0.09EIVarsel, Morrell, et al., 1960RDSH
8.37PEZykov, Erchak, et al., 1983Vertical value; LBLHLM
8.54PEColonna, Distefano, et al., 1979Vertical value; LLK
8.37 ± 0.05PEFringuelli, Marino, et al., 1976Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C5H5O+10.65HEISpilker and Grutzmacher, 1986LBLHLM

De-protonation reactions

C5H5O- + Hydrogen cation = Furan, 2-methyl-

By formula: C5H5O- + H+ = C5H6O

Quantity Value Units Method Reference Comment
Deltar383.8 ± 3.1kcal/molG+TSDePuy, Kass, et al., 1988gas phase; Anion of 2-methylfuran. Order: H2O<furan<2-Me-furan<MeOH.; B
Quantity Value Units Method Reference Comment
Deltar377.0 ± 3.0kcal/molIMRBDePuy, Kass, et al., 1988gas phase; Anion of 2-methylfuran. Order: H2O<furan<2-Me-furan<MeOH.; B

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]

Veszpremi, Nyulaszi, et al., 1987
Veszpremi, T.; Nyulaszi, L.; Nagy, J., Ultraviolet photoelectron spectroscopy and quantum-mechanical study of alkyl- and trimethylsilyl-furanes, J. Organomet. Chem., 1987, 331, 175. [all data]

Spilker and Grutzmacher, 1986
Spilker, R.; Grutzmacher, H.-F., Isomerization and fragmentation of methylfuran ions and pyran ions in the gas phase, Org. Mass Spectrom., 1986, 21, 459. [all data]

Kobayashi, Kubota, et al., 1982
Kobayashi, T.; Kubota, T.; Ezumi, K.; Utsunomiya, C., Photoelectron angular distribution study of some isoxazoles combined with perturbation theoretic approach, Bull. Chem. Soc. Jpn., 1982, 55, 3915. [all data]

Lias and Ausloos, 1978
Lias, S.G.; Ausloos, P.J., eIonization energies of organic compounds by equilibrium measurements, J. Am. Chem. Soc., 1978, 100, 6027. [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]

Varsel, Morrell, et al., 1960
Varsel, C.J.; Morrell, F.A.; Resnik, F.E.; Powell, W.A., Qualitative and quantitative analysis of organic compounds. Use of low-voltage mass spectrometry, Anal. Chem., 1960, 32, 182. [all data]

Zykov, Erchak, et al., 1983
Zykov, B.G.; Erchak, N.P.; Khvostenko, V.I.; Lukevits, E.; Matorykina, V.F.; Asfandiarov, N.L., Photoelectron spectra of furylsilanes and their carbon analogs, J. Organomet. Chem., 1983, 253, 301. [all data]

Colonna, Distefano, et al., 1979
Colonna, F.P.; Distefano, G.; Guerra, M.; Jones, D.; Modelli, A., Furyl- and thienyl-mercury derivatives studied by means of ultraviolet photoelectron spectroscopy. Evidence for the participation in bonding of the vacant 6p «pi» orbitals of mercury in bis-2-furyl-bis-2-thienylmercury, J. Chem. Soc. Dalton Trans., 1979, 2037. [all data]

Fringuelli, Marino, et al., 1976
Fringuelli, F.; Marino, G.; Taticchi, A.; Distefano, G.; Colonna, F.P.; Pignataro, S., Photoelectron spectra of the «alpha»-substituted derivatives of furan, thiophen, selenophen, and tellurophen. A comparative study of the molecular orbital energies, J. Chem. Soc. Perkin Trans. 2, 1976, 276. [all data]

DePuy, Kass, et al., 1988
DePuy, C.H.; Kass, S.R.; Bean, G.P., Formation and Reactions of Heteroaromatic Anions in the Gas Phase, J. Org. Chem., 1988, 53, 19, 4427, https://doi.org/10.1021/jo00254a001 . [all data]


Notes

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