CF3S anion
- Formula: CF3S-
- Molecular weight: 101.071
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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 |
|---|---|---|---|
| 3.20 ± 0.50 | EIAE | Spyrou, Hunter, et al., 1984 | From CF3SCF3, CF3SCH3 |
| 1.79961 | SI | Page and Goode, 1969 | The Magnetron method, lacking mass analysis, is not considered reliable. |
Protonation reactions
CF3S- + =
By formula: CF3S- + H+ = CHF3S
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 334.5 ± 2.3 | kcal/mol | G+TS | Koppel, Pihl, et al., 1994 | gas phase; Possibly dissociative protonation -> CF2S + HF + A-. See CF3O-. G2: 321.0, Burk, Koppel, et al., 2000 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 327.5 ± 2.0 | kcal/mol | IMRE | Koppel, Pihl, et al., 1994 | gas phase; Possibly dissociative protonation -> CF2S + HF + A-. See CF3O-. G2: 321.0, Burk, Koppel, et al., 2000 |
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.
Spyrou, Hunter, et al., 1984
Spyrou, S.M.; Hunter, S.R.; Christophorou, L.G.,
Studies of Negative Ion Formation in Fluoroethers and Fluorosulphides using Low-Energy (10 eV) Electron Beam and Electron Swarm Techniques.,
J. Chem. Phys., 1984, 81, 10, 4481, https://doi.org/10.1063/1.447417
. [all data]
Page and Goode, 1969
Page, F.M.; Goode, G.C.,
Negative Ions and the Magnetron., Wiley, NY, 1969. [all data]
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]
Burk, Koppel, et al., 2000
Burk, P.; Koppel, I.A.; Rummel, A.; Trummal, A.,
Can O-H acid be more acidic than its S-H analog? A G2 study of fluoromethanols and fluoromethanethiols,
J. Phys. Chem. A, 2000, 104, 7, 1602-1607, https://doi.org/10.1021/jp993487a
. [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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