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Trifluoroacetic acid

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

Quantity Value Units Method Reference Comment
IE (evaluated)11.5eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)711.7kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity680.7kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
11.6PEAsbrink, Svensson, et al., 1981LLK
11.46PESweigart and Turner, 1972LLK
12.0PEAsbrink, Svensson, et al., 1981Vertical value; LLK
12.06PECarnovale, Gan, et al., 1980Vertical value; LLK
12.08 ± 0.05PEColeman, Green, et al., 1979Vertical value; LLK
12.00PEWatanabe, Yokoyama, et al., 1973Vertical value; LLK
12.00 ± 0.03PEThomas, 1972Vertical value; LLK

De-protonation reactions

CF3CO2 anion + Hydrogen cation = Trifluoroacetic acid

By formula: C2F3O2- + H+ = C2HF3O2

Quantity Value Units Method Reference Comment
Deltar1355. ± 12.kJ/molG+TSCaldwell, Renneboog, et al., 1989gas phase; B
Deltar1351. ± 12.kJ/molG+TSJinfeng, Topsom, et al., 1988gas phase; value altered from reference due to change in acidity scale; B
Deltar1351. ± 17.kJ/molG+TSCumming and Kebarle, 1978gas phase; B
Quantity Value Units Method Reference Comment
Deltar1328. ± 8.4kJ/molIMRECaldwell, Renneboog, et al., 1989gas phase; B
Deltar1324. ± 8.4kJ/molIMREJinfeng, Topsom, et al., 1988gas phase; value altered from reference due to change in acidity scale; B
Deltar1323. ± 8.4kJ/molIMRECumming and Kebarle, 1978gas phase; 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]

Asbrink, Svensson, et al., 1981
Asbrink, L.; Svensson, A.; Von Niessen, W.; Bieri, G., 30.4 nm He(II) photoelectron spectra of organic molecules, J. Electron Spectrosc. Relat. Phenom., 1981, 24, 293. [all data]

Sweigart and Turner, 1972
Sweigart, D.A.; Turner, D.W., Lone pair orbitals and their interactions studied by photoelectron spectroscopy. I. Carboxylic acids and their derivatives, J. Am. Chem. Soc., 1972, 94, 5592. [all data]

Carnovale, Gan, et al., 1980
Carnovale, F.; Gan, T.H.; Peel, J.B., Photoelectron spectroscopic studies of the monomers and dimers of acetic and trifluoracetic acids, J. Electron Spectrosc. Relat. Phenom., 1980, 20, 53. [all data]

Coleman, Green, et al., 1979
Coleman, A.W.; Green, J.C.; Hayes, A.J.; Seddon, E.A.; Lloyd, D.R.; Niwa, Y., A comparison of the electronic structure of some group 6A dimetal tetracarboxylates using photoelectron spectroscopy, J. Chem. Soc. Dalton Trans., 1979, 75, 1057. [all data]

Watanabe, Yokoyama, et al., 1973
Watanabe, I.; Yokoyama, Y.; Ikeda, S., Lone pair ionization potentials of carboxylic acids determined by He(I) photoelectron spectroscopy, Bull. Chem. Soc. Jpn., 1973, 46, 1959. [all data]

Thomas, 1972
Thomas, R.K., Photoelectron spectroscopy of hydrogen-bonded systems: spectra of monomers, dimers and mixed complexes of carboxylic acides, Proc. R. Soc. London A:, 1972, 331, 249. [all data]

Caldwell, Renneboog, et al., 1989
Caldwell, G.; Renneboog, R.; Kebarle, P., Gas Phase Acidities of Aliphatic Carboxylic Acids, Based on Measurements of Proton Transfer Equilibria, Can. J. Chem., 1989, 67, 4, 661, https://doi.org/10.1139/v89-092 . [all data]

Jinfeng, Topsom, et al., 1988
Jinfeng, C.; Topsom, R.D.; Headley, A.D.; Koppel, I.; Mishima, M.; Taft, R.W.; Veji, S., Acidities of Substituted Acetic Acids, J. Mol. Struct., 1988, 168, 141, https://doi.org/10.1016/0166-1280(88)80349-X . [all data]

Cumming and Kebarle, 1978
Cumming, J.B.; Kebarle, P., Summary of gas phase measurements involving acids AH. Entropy changes in proton transfer reactions involving negative ions. Bond dissociation energies D(A-H) and electron affinities EA(A), Can. J. Chem., 1978, 56, 1. [all data]


Notes

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