Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

(CF3)2CH anion


Reaction thermochemistry data

Go To: Top, Gas phase ion energetics data, References, Notes

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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

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?

Gas phase ion energetics data

Go To: Top, Reaction thermochemistry data, References, Notes

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
2.51 ± 0.33D-EAMcDonald, Chowdhury, et al., 1984Weaker 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

Protonation 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, Gas phase ion energetics 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

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References