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Phenol, pentafluoro-

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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
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
9.20 ± 0.02PEMaier and Turner, 1973LLK
9.37 ± 0.02PEMaier, Marthaler, et al., 1980Vertical value; LLK

De-protonation reactions

C6F5O- + Hydrogen cation = Phenol, pentafluoro-

By formula: C6F5O- + H+ = C6HF5O

Quantity Value Units Method Reference Comment
Deltar1372. ± 9.2kJ/molG+TSKoppel, Taft, et al., 1994gas phase; B
Deltar<1630. ± 11.kJ/molAcidBriscese and Riveros, 1975gas phase; HO- + C6F6 -> , acidity probably ca. 320 kcal; B
Quantity Value Units Method Reference Comment
Deltar1342. ± 8.4kJ/molIMREKoppel, Taft, et al., 1994gas phase; 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.

Maier and Turner, 1973
Maier, J.P.; Turner, D.W., Steric inhibition of resonance studied by molecular photoelectron spectroscopy Part 3. Anilines, Phenols and Related Compounds, J. Chem. Soc. Faraday Trans. 2, 1973, 69, 521. [all data]

Maier, Marthaler, et al., 1980
Maier, J.P.; Marthaler, O.; Mohraz, M., Emission spectra of the cations of some fluorosubstituted phenols in the gaseous phase, J. Electron Spectrosc. Relat. Phenom., 1980, 19, 11. [all data]

Koppel, Taft, et al., 1994
Koppel, I.A.; Taft, R.W.; Anvia, F.; Zhu, S.Z.; Hu, L.Q.; Sung, K.S.; Desmarteau, D.D.; Yagupolskii, L.M., The Gas-Phase Acidities of Very Strong Neutral Bronsted Acids, J. Am. Chem. Soc., 1994, 116, 7, 3047, https://doi.org/10.1021/ja00086a038 . [all data]

Briscese and Riveros, 1975
Briscese, S.M.J.; Riveros, J.M., Gas phase nucleophilic reactions of aromatic systems, J. Am. Chem. Soc., 1975, 97, 230. [all data]


Notes

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