(CF3)3C anion
- Formula: C4F9-
- Molecular weight: 219.0290
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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
C4F9- + =
By formula: C4F9- + H+ = C4HF9
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 334.3 ± 2.1 | kcal/mol | G+TS | Koppel, Pihl, et al., 1994 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 326.6 ± 2.0 | kcal/mol | IMRE | Koppel, Pihl, et al., 1994 | gas phase |
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 |
|---|---|---|---|
| 3.83 ± 0.23 | D-EA | Koppel, Pihl, et al., 1994 | |
| 3.40 ± 0.10 | EIAE | Spyrou, Hunter, et al., 1985 | From (CF3)3CF |
| 3.40 ± 0.20 | EIAE | Spyrou, Sauers, et al., 1983 | From (CF3)3CF |
Protonation reactions
C4F9- + =
By formula: C4F9- + H+ = C4HF9
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 334.3 ± 2.1 | kcal/mol | G+TS | Koppel, Pihl, et al., 1994 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 326.6 ± 2.0 | kcal/mol | IMRE | Koppel, Pihl, et al., 1994 | gas phase |
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.
Koppel, Pihl, et al., 1994
Koppel, I.A.; Pihl, V.; Koppel, I.A.; Anvia, F.; Taft, R.W.,
Thermodynamic acidity of (CF3)3CH and 1H-undecafluorobicyclo[2.2.1]heptane: The concept of anionic (fluorine) hyperconjugation,
J. Am. Chem. Soc., 1994, 116, 19, 8654, https://doi.org/10.1021/ja00098a027
. [all data]
Spyrou, Hunter, et al., 1985
Spyrou, S.M.; Hunter, S.R.; Christophorou, L.G.,
A study of the isomeric dependence of low-energy (<10 eV) electron attachment: Perfluoroalkanes,
J. Chem. Phys., 1985, 83, 641. [all data]
Spyrou, Sauers, et al., 1983
Spyrou, S.M.; Sauers, I.; Christophorou, L.G.,
Electron attachment to the perfluoroalkanes n-CnF2n+2 (n = 1-6) and i-C4F10,
J. Chem. Phys., 1983, 78, 7200. [all data]
Notes
Go To: Top, Reaction thermochemistry data, 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
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