(CF3)2CH anion
- Formula: C3HF6-
- Molecular weight: 151.0310
- Information on this page:
- Other data available:
- Options:
Gas phase ion energetics data
Go To: Top, 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 ± 0.33 | D-EA | McDonald, Chowdhury, et al., 1984 | 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 |
Protonation reactions
C3HF6- + =
By formula: C3HF6- + H+ = C3H2F6
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1522. ± 17. | kJ/mol | G+TS | McDonald, Chowdhury, et al., 1984 | gas 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 |
| ΔrH° | 1471. ± 9.2 | kJ/mol | G+TS | Koppel, Taft, et al., 1994 | gas 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 |
| ΔrG° | 1490. ± 17. | kJ/mol | IMRB | McDonald, Chowdhury, et al., 1984 | gas 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 |
| ΔrG° | 1439. ± 8.4 | kJ/mol | IMRE | Koppel, Taft, et al., 1994 | gas phase; 12 kcal/mol stronger than McDonald, Chowdhury, et al., 1984. Dissociative proton transfer to CF3CH=CF2 and HF? |
References
Go To: Top, 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, Gas phase ion energetics data, References
- Symbols used in this document:
EAneutral Electron affinity of neutral species ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.