C6F5 anion
- Formula: C6F5-
- Molecular weight: 167.0568
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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
C6F5- + =
By formula: C6F5- + H+ = C6HF5
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1492. ± 8.8 | kJ/mol | G+TS | Buker, Nibbering, et al., 1997 | gas phase |
| ΔrH° | <1559.6 ± 1.3 | kJ/mol | G+TS | Herd, Adams, et al., 1989 | gas phase; More acidic than HF, less than HCl |
| ΔrH° | 1539. ± 21. | kJ/mol | D-EA | Compton and Reinhardt, 1982 | gas phase; From perfluorobenzene |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1460. ± 8.4 | kJ/mol | IMRE | Buker, Nibbering, et al., 1997 | gas phase |
| ΔrG° | <1527.2 | kJ/mol | IMRB | Herd, Adams, et al., 1989 | gas phase; More acidic than HF, less than HCl |
| ΔrG° | 1507. ± 21. | kJ/mol | H-TS | Compton and Reinhardt, 1982 | gas phase; From perfluorobenzene |
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 |
|---|---|---|---|
| 3.18 ± 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° | 1492. ± 8.8 | kJ/mol | G+TS | Buker, Nibbering, et al., 1997 | gas phase |
| ΔrH° | <1559.6 ± 1.3 | kJ/mol | G+TS | Herd, Adams, et al., 1989 | gas phase; More acidic than HF, less than HCl |
| ΔrH° | 1539. ± 21. | kJ/mol | D-EA | Compton and Reinhardt, 1982 | gas phase; From perfluorobenzene |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1460. ± 8.4 | kJ/mol | IMRE | Buker, Nibbering, et al., 1997 | gas phase |
| ΔrG° | <1527.2 | kJ/mol | IMRB | Herd, Adams, et al., 1989 | gas phase; More acidic than HF, less than HCl |
| ΔrG° | 1507. ± 21. | kJ/mol | H-TS | Compton and Reinhardt, 1982 | gas phase; From perfluorobenzene |
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.
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, 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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