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Benzene, 1-fluoro-4-methoxy-

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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:
B - John E. Bartmess
MM - Michael M. Meot-Ner (Mautner)
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Proton affinity at 298K

Proton affinity (kJ/mol) Reference Comment
795.Bogdanov, van Duijn, et al., 2002MM

Gas basicity at 298K

Gas basicity (review) (kJ/mol) Reference Comment
767.Bogdanov, van Duijn, et al., 2002MM

Ionization energy determinations

IE (eV) Method Reference Comment
8.26 ± 0.03PIPonomarev, Arapov, et al., 1986LBLHLM
8.6 ± 0.1EIBrown, 1970RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C6H4FO+11.79 ± 0.05CH3PIPonomarev, Arapov, et al., 1986LBLHLM
C6H4OF+12.0 ± 0.1CH3EIBrown, 1970RDSH
C6H4OF+11.5 ± 0.1CH3EITait, Shannon, et al., 1962RDSH
C6H5F+11.6 ± 0.1CH2OEIBrown, 1970RDSH

De-protonation reactions

C7H6FO- + Hydrogen cation = Benzene, 1-fluoro-4-methoxy-

By formula: C7H6FO- + H+ = C7H7FO

Quantity Value Units Method Reference Comment
Deltar1618. ± 21.kJ/molG+TSIngemann and Nibbering, 1983gas phase; Between H2O, MeOH; B
Quantity Value Units Method Reference Comment
Deltar1586. ± 21.kJ/molIMRBIngemann and Nibbering, 1983gas phase; Between H2O, 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.

Bogdanov, van Duijn, et al., 2002
Bogdanov, B.; van Duijn, D.; Ingemann, S.; Hammerum, S., Protonation of fluorophenols and fluoroanisoles in the gas phase: experiment and theory, Phys. Chem. Chem. Phys., 2002, 4, 2904. [all data]

Ponomarev, Arapov, et al., 1986
Ponomarev, D.A.; Arapov, O.V.; Sergeev, Y.L.; Chistyakov, A.B., [Title unavailable], Izv. Vyssh. Uchebn. Zaved., Khim. Khim. Tekhnol., 1986, 29, 107. [all data]

Brown, 1970
Brown, P., Kinetic studies in mass spectrometry. VIII. Competing [M-CH3] and [M-CH2O] reactions in substituted anisoles. Approximate activation energies from ionization appearance potentials, Org. Mass Spectrom., 1970, 4, 519. [all data]

Tait, Shannon, et al., 1962
Tait, J.M.S.; Shannon, T.W.; Harrison, A.G., The structure of substituted C7 ions from benzyl derivatives at the appearance potential threshold, J. Am. Chem. Soc., 1962, 84, 4. [all data]

Ingemann and Nibbering, 1983
Ingemann, S.; Nibbering, N.M.M., Gas phase reactions of anions with 2-,3-, and 4-fluoroanisole, J. Org. Chem., 1983, 48, 183. [all data]


Notes

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