1,1,3,3-tetrafluoroacetone


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

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
Proton affinity (review)698.8kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity669.0kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
10.7PEYoung and Cheng, 1976LLK
11.33 ± 0.02PEYoung and Cheng, 1976Vertical value; LLK

De-protonation reactions

C3HF4O- + Hydrogen cation = 1,1,3,3-tetrafluoroacetone

By formula: C3HF4O- + H+ = C3H2F4O

Quantity Value Units Method Reference Comment
Δr1429. ± 23.kJ/molG+TSFarid and McMahon, 1980gas phase; Between HCO2H, FCH2CO2H; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Δr1401. ± 23.kJ/molIMRBFarid and McMahon, 1980gas phase; Between HCO2H, FCH2CO2H; value altered from reference due to change in acidity scale; B

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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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Clustering reactions

Chlorine anion + 1,1,3,3-tetrafluoroacetone = (Chlorine anion • 1,1,3,3-tetrafluoroacetone)

By formula: Cl- + C3H2F4O = (Cl- • C3H2F4O)

Quantity Value Units Method Reference Comment
Δr75.7 ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M

References

Go To: Top, Gas phase ion energetics data, Ion clustering 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]

Young and Cheng, 1976
Young, V.Y.; Cheng, K.L., The photoelectron spectra of halogen substituted acetones, J. Chem. Phys., 1976, 65, 3187. [all data]

Farid and McMahon, 1980
Farid, R.; McMahon, T.B., The gas phase acidities of fluorinated acetones. An ICR investigation of the role of fluorine substituents in the stabilization of planar carbanions, Can. J. Chem., 1980, 58, 2307. [all data]

Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B., Fluoride and chloride affinities of main group oxides, fluorides, oxofluorides, and alkyls. Quantitative scales of lewis acidities from ion cyclotron resonance halide-exchange equilibria, J. Phys. Chem., 1984, 88, 1083. [all data]


Notes

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