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(CF3)2CH anion


Reaction thermochemistry 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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Individual Reactions

C3HF6- + Hydrogen cation = Propane, 1,1,1,3,3,3-hexafluoro-

By formula: C3HF6- + H+ = C3H2F6

Quantity Value Units Method Reference Comment
Deltar1522. ± 17.kJ/molG+TSMcDonald, Chowdhury, et al., 1984gas phase; Weaker than Koppel, Taft, et al., 1994 by 12 kcal/mol, but agree with G3MP2B3 calculations better. Between PhCOCH3, CF3CH2OH.; value altered from reference due to change in acidity scale
Deltar1471. ± 9.2kJ/molG+TSKoppel, Taft, et al., 1994gas phase; 12 kcal/mol stronger than McDonald, Chowdhury, et al., 1984. Dissociative proton transfer to CF3CH=CF2 and HF?
Quantity Value Units Method Reference Comment
Deltar1490. ± 17.kJ/molIMRBMcDonald, Chowdhury, et al., 1984gas phase; Weaker than Koppel, Taft, et al., 1994 by 12 kcal/mol, but agree with G3MP2B3 calculations better. Between PhCOCH3, CF3CH2OH.; value altered from reference due to change in acidity scale
Deltar1439. ± 8.4kJ/molIMREKoppel, Taft, et al., 1994gas phase; 12 kcal/mol stronger than McDonald, Chowdhury, et al., 1984. Dissociative proton transfer to CF3CH=CF2 and HF?

References

Go To: Top, Reaction thermochemistry data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

McDonald, Chowdhury, et al., 1984
McDonald, R.N.; Chowdhury, A.K.; McGhee, W.D., Gas-Phase Generation of 1,1,1,3,3,3-Hexafluoroisopropylidene Anion Radical: Proton Affinity and Heat of Formation of (CF3)2C- and (CF3)2CH-, J. Am. Chem. Soc., 1984, 106, 15, 4112, https://doi.org/10.1021/ja00327a008 . [all data]

Koppel, Taft, et al., 1994
Koppel, I.A.; Taft, R.W.; Anvia, F.; Zhu, S.Z.; Hu, L.Q.; Sung, K.S.; Desmarteau, D.D.; Yagupolskii, L.M., The Gas-Phase Acidities of Very Strong Neutral Bronsted Acids, J. Am. Chem. Soc., 1994, 116, 7, 3047, https://doi.org/10.1021/ja00086a038 . [all data]


Notes

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