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Allyl fluoride


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
10.11PEMines and Thompson, 1973LLK
10.38PEWorrell, 1974Vertical value; LLK
10.56PESchmidt and Schweig, 1973Vertical value; LLK

De-protonation reactions

C3H4F- + Hydrogen cation = Allyl fluoride

By formula: C3H4F- + H+ = C3H5F

Quantity Value Units Method Reference Comment
Deltar389.1 ± 4.1kcal/molG+TSDahlke and Kass, 1991gas phase; Between H2O, furan. Reprotonation site uncertain; B
Quantity Value Units Method Reference Comment
Deltar382.0 ± 4.0kcal/molIMRBDahlke and Kass, 1991gas phase; Between H2O, furan. Reprotonation site uncertain; 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.

Mines and Thompson, 1973
Mines, G.W.; Thompson, H.W., Photoelectron spectra of vinyl and allyl halides, Spectrochim. Acta Part A, 1973, 29, 1377. [all data]

Worrell, 1974
Worrell, C.W., The photoelectron and absorption spectra of allyl halides, J. Electron Spectrosc. Relat. Phenom., 1974, 3, 359. [all data]

Schmidt and Schweig, 1973
Schmidt, H.; Schweig, A., Semiquantitative proof of hyperconjugation, Angew. Chem. Int. Ed. Engl., 1973, 12, 307. [all data]

Dahlke and Kass, 1991
Dahlke, G.D.; Kass, S.R., Substituent Effects in the Gas Phase - 1-Substituted Allyl Anions, J. Am. Chem. Soc., 1991, 113, 15, 5566, https://doi.org/10.1021/ja00015a008 . [all data]


Notes

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