m-difluorophenide anion
- Formula: C6H3F2-
- Molecular weight: 113.0854
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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
C6H3F2- + =
By formula: C6H3F2- + H+ = C6H4F2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 374.0 ± 2.1 | kcal/mol | G+TS | Buker, Nibbering, et al., 1997 | gas phase |
| ΔrH° | <376.55 ± 0.30 | kcal/mol | G+TS | Briscese and Riveros, 1975 | gas phase; < iPrOH; value altered from reference due to change in acidity scale |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 366.3 ± 2.0 | kcal/mol | IMRE | Buker, Nibbering, et al., 1997 | gas phase |
| ΔrG° | <368.80 | kcal/mol | IMRB | Briscese and Riveros, 1975 | gas phase; < iPrOH; value altered from reference due to change in acidity scale |
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
Protonation reactions
C6H3F2- + =
By formula: C6H3F2- + H+ = C6H4F2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 374.0 ± 2.1 | kcal/mol | G+TS | Buker, Nibbering, et al., 1997 | gas phase |
| ΔrH° | <376.55 ± 0.30 | kcal/mol | G+TS | Briscese and Riveros, 1975 | gas phase; < iPrOH; value altered from reference due to change in acidity scale |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 366.3 ± 2.0 | kcal/mol | IMRE | Buker, Nibbering, et al., 1997 | gas phase |
| ΔrG° | <368.80 | kcal/mol | IMRB | Briscese and Riveros, 1975 | gas phase; < iPrOH; value altered from reference due to change in acidity scale |
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]
Briscese and Riveros, 1975
Briscese, S.M.J.; Riveros, J.M.,
Gas phase nucleophilic reactions of aromatic systems,
J. Am. Chem. Soc., 1975, 97, 230. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
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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