C6F5 anion
- Formula: C6F5-
- Molecular weight: 167.0568
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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 by: John E. Bartmess
Electron affinity of neutral species
| EAneutral (eV) | Method | Reference | Comment |
|---|---|---|---|
| 3.18 ± 0.13 | D-EA | Buker, Nibbering, et al., 1997 | |
| >2.487 ± 0.088 | D-EA | Herd, Adams, et al., 1989 | More acidic than HF, less than HCl |
| 2.70 ± 0.20 | NBAE | Compton and Reinhardt, 1982 | From perfluorobenzene |
| 2.74495 | SI | Page and Goode, 1969 | The Magnetron method, lacking mass analysis, is not considered reliable. |
Protonation reactions
C6F5- + =
By formula: C6F5- + H+ = C6HF5
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 356.7 ± 2.1 | kcal/mol | G+TS | Buker, Nibbering, et al., 1997 | gas phase |
| ΔrH° | <372.75 ± 0.30 | kcal/mol | G+TS | Herd, Adams, et al., 1989 | gas phase; More acidic than HF, less than HCl |
| ΔrH° | 367.8 ± 5.0 | kcal/mol | D-EA | Compton and Reinhardt, 1982 | gas phase; From perfluorobenzene |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 349.0 ± 2.0 | kcal/mol | IMRE | Buker, Nibbering, et al., 1997 | gas phase |
| ΔrG° | <365.00 | kcal/mol | IMRB | Herd, Adams, et al., 1989 | gas phase; More acidic than HF, less than HCl |
| ΔrG° | 360.1 ± 5.1 | kcal/mol | H-TS | Compton and Reinhardt, 1982 | gas phase; From perfluorobenzene |
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.
Buker, Nibbering, et al., 1997
Buker, H.H.; Nibbering, N.M.M.; Espinosa, D.; Mongin, F.; Schlosser, M.,
Additivity of substituent effects in the fluoroarene series: Equilibrium acidity in the gas phase and deprotonation rates in ethereal solution,
Tetrahed. Lett., 1997, 38, 49, 8519-8522, https://doi.org/10.1016/S0040-4039(97)10303-3
. [all data]
Herd, Adams, et al., 1989
Herd, C.R.; Adams, N.G.; Smith, D.,
FALP Studies of Electron Attachment Reactions of C6F5Cl, C6F5Br, and C6F5I,
Int. J. Mass Spectrom. Ion Proc., 1989, 87, 3, 331, https://doi.org/10.1016/0168-1176(89)80032-1
. [all data]
Compton and Reinhardt, 1982
Compton, R.N.; Reinhardt, P.W.,
Collisonal ionization between fast alkali atoms and hexafluorobenzene,
Chem. Phys. Lett., 1982, 91, 268. [all data]
Page and Goode, 1969
Page, F.M.; Goode, G.C.,
Negative Ions and the Magnetron., Wiley, NY, 1969. [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
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