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2-Propanone, 1-fluoro-


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
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Quantity Value Units Method Reference Comment
Proton affinity (review)795.4kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity763.5kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.9PEYoung and Cheng, 1976LLK
10.20PEOlivato, Guerrero, et al., 1984Vertical value; LBLHLM
10.20 ± 0.02PEYoung and Cheng, 1976Vertical value; LLK

De-protonation reactions

C3H4FO- + Hydrogen cation = 2-Propanone, 1-fluoro-

By formula: C3H4FO- + H+ = C3H5FO

Quantity Value Units Method Reference Comment
Deltar1496. ± 15.kJ/molG+TSFarid and McMahon, 1980gas phase; Between pyrrole, MeNO2; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar1465. ± 15.kJ/molIMRBFarid and McMahon, 1980gas phase; Between pyrrole, MeNO2; value altered from reference due to change in acidity scale; B

C3H4FO- + Hydrogen cation = 2-Propanone, 1-fluoro-

By formula: C3H4FO- + H+ = C3H5FO

Quantity Value Units Method Reference Comment
Deltar1532. ± 17.kJ/molG+TSClair and McMahon, 1980gas phase; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar1503. ± 17.kJ/molIMRBClair and McMahon, 1980gas phase; value altered from reference due to change in acidity scale; 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.

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]

Olivato, Guerrero, et al., 1984
Olivato, P.R.; Guerrero, S.A.; Modelli, A.; Granozzi, G.; Jones, D.; Distefano, G., Electronic interaction in heterosubstituted acetones studied by means of ultraviolet photoelectron and electron transmission spectroscopy, J. Chem. Soc. Perkin Trans. 2, 1984, 1505. [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]

Clair and McMahon, 1980
Clair, R.L.; McMahon, T.B., An ion cyclotron resonance study of base-induced elimination reactions of fluorinated alcohols and unimolecular loss of HF from chemically activated fluoroalkoxide ions, Int. J. Mass Spectrom. Ion Phys., 1980, 33, 21. [all data]


Notes

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