Benzocyclobuten-1(2H)-one


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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C8H6O+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
8.99EIMamer, Lossing, et al., 1970RDSH

De-protonation reactions

C8H5O- + Hydrogen cation = Benzocyclobuten-1(2H)-one

By formula: C8H5O- + H+ = C8H6O

Quantity Value Units Method Reference Comment
Deltar1505. ± 9.2kJ/molG+TSBroadus and Kass, 1999gas phase; Correction to direction of «DELTA»Gacid reported in literature: Kass, private communication; B
Quantity Value Units Method Reference Comment
Deltar1473. ± 8.8kJ/molIMREBroadus and Kass, 1999gas phase; Correction to direction of «DELTA»Gacid reported in literature: Kass, private communication; B

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Mamer, Lossing, et al., 1970
Mamer, A.; Lossing, F.P.; Hedaya, E.; Kent, M.E., Pyrolysis of bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylic anhydride, Can. J. Chem., 1970, 48, 3606. [all data]

Broadus and Kass, 1999
Broadus, K.M.; Kass, S.R., Benzocyclobutenone enolate: an anion with an antiaromatic resonance structure, J. Chem. Soc. Perkin Trans., 1999, 2, 11, 2389-2396, https://doi.org/10.1039/a905868k . [all data]


Notes

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