CH2=C(CF3)O anion


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 by: John E. Bartmess

Electron affinity of neutral species

EAneutral (eV) Method Reference Comment
2.625 ± 0.010LPDBrinkman, Berger, et al., 1993 
2.58 ± 0.13PDZimmerman, Reed, et al., 1977 

Protonation reactions

C3H2F3O- + Hydrogen cation = 2-Propanone, 1,1,1-trifluoro-

By formula: C3H2F3O- + H+ = C3H3F3O

Quantity Value Units Method Reference Comment
Δr1461. ± 8.8kJ/molG+TSTaft, 1987gas phase; value altered from reference due to change in acidity scale
Δr1466. ± 15.kJ/molG+TSCumming and Kebarle, 1978gas phase
Quantity Value Units Method Reference Comment
Δr1431. ± 8.4kJ/molIMRETaft, 1987gas phase; value altered from reference due to change in acidity scale
Δr1436. ± 8.4kJ/molIMRECumming and Kebarle, 1978gas phase

Ion clustering 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 by: John E. Bartmess

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Clustering reactions

C3H2F3O- + Water = (C3H2F3O- • Water)

By formula: C3H2F3O- + H2O = (C3H2F3O- • H2O)

Quantity Value Units Method Reference Comment
Δr53.6 ± 4.2kJ/molTDAsMeot-ner, 1988gas phase
Quantity Value Units Method Reference Comment
Δr32. ± 4.2kJ/molTDAsMeot-ner, 1988gas phase

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.

Brinkman, Berger, et al., 1993
Brinkman, E.A.; Berger, S.; Marks, J.; Brauman, J.I., Molecular Rotation and the Observation of Dipole-Bound States of Anions, J. Chem. Phys., 1993, 99, 10, 7586, https://doi.org/10.1063/1.465688 . [all data]

Zimmerman, Reed, et al., 1977
Zimmerman, A.H.; Reed, K.J.; Brauman, J.I., Photodetachment of electrons from enolate anions. Gas phase electron affinities of enolate radicals, J. Am. Chem. Soc., 1977, 99, 7203. [all data]

Taft, 1987
Taft, R.W., The Nature and Analysis of Substitutent Electronic Effects, Personal communication. See also Prog. Phys. Org. Chem., 1987, 16, 1. [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]

Meot-ner, 1988
Meot-ner, M., The Ionic Hydrogen Bond and Solvation. 7. Interaction Energies of Carbanions with Solvent Molecules, J. Am. Chem. Soc., 1988, 110, 12, 3858, https://doi.org/10.1021/ja00220a022 . [all data]


Notes

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