CF3SO3 anion
- Formula: CF3O3S-
- Molecular weight: 149.070
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Reaction thermochemistry data
Go To: Top, Gas phase ion energetics 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
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Individual Reactions
CF3O3S- + = CHF3O3S
By formula: CF3O3S- + H+ = CHF3O3S
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 305.4 ± 2.2 | kcal/mol | G+TS | Koppel, Taft, et al., 1994 | gas phase; Per Leito, Raamat, et al., 2009, dGacid is likely too weak by at least 1.3 kcal/mol, and possibly 5.3, due to problems in the ladder at dGacid=299 |
ΔrH° | <313.6 ± 2.0 | kcal/mol | EIAE | Adams, Smith, et al., 1986 | gas phase; From CF3SO3H,anhydride |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 299.5 ± 2.0 | kcal/mol | IMRE | Koppel, Taft, et al., 1994 | gas phase; Per Leito, Raamat, et al., 2009, dGacid is likely too weak by at least 1.3 kcal/mol, and possibly 5.3, due to problems in the ladder at dGacid=299 |
ΔrG° | 298.8 ± 2.5 | kcal/mol | IMRB | Viggiano, Henchman, et al., 1992 | gas phase |
(CF3O3S- • ) + = (CF3O3S- • 2)
By formula: (CF3O3S- • H2O) + H2O = (CF3O3S- • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.8 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.80 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K |
By formula: CF3O3S- + H2O = (CF3O3S- • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.6 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.60 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K |
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 |
---|---|---|---|
>5.299963 | LPD | Herd, Misth, et al., 1989 | No detachment with 5.49 eV photons |
>4.90 ± 0.20 | IMRB | Viggiano, Paulson, et al., 1987 | ΔGacid: CF3SO3H<FSO3H<H2SO4<HPO3<HI, ΔGacid(CF3SO3H)<313.6 kcal |
Protonation reactions
CF3O3S- + = CHF3O3S
By formula: CF3O3S- + H+ = CHF3O3S
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 305.4 ± 2.2 | kcal/mol | G+TS | Koppel, Taft, et al., 1994 | gas phase; Per Leito, Raamat, et al., 2009, dGacid is likely too weak by at least 1.3 kcal/mol, and possibly 5.3, due to problems in the ladder at dGacid=299 |
ΔrH° | <313.6 ± 2.0 | kcal/mol | EIAE | Adams, Smith, et al., 1986 | gas phase; From CF3SO3H,anhydride |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 299.5 ± 2.0 | kcal/mol | IMRE | Koppel, Taft, et al., 1994 | gas phase; Per Leito, Raamat, et al., 2009, dGacid is likely too weak by at least 1.3 kcal/mol, and possibly 5.3, due to problems in the ladder at dGacid=299 |
ΔrG° | 298.8 ± 2.5 | kcal/mol | IMRB | Viggiano, Henchman, et al., 1992 | 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, Taft, et al., 1994
Koppel, I.A.; Taft, R.W.; Anvia, F.; Zhu, S.Z.; Hu, L.Q.; Sung, K.S.; Desmarteau, D.D.; Yagupolskii, L.M.,
The Gas-Phase Acidities of Very Strong Neutral Bronsted Acids,
J. Am. Chem. Soc., 1994, 116, 7, 3047, https://doi.org/10.1021/ja00086a038
. [all data]
Leito, Raamat, et al., 2009
Leito, I.; Raamat, E.; Kutt, A.; Saame, J.; Kipper, K.; Koppel, I.A.; Koppel, I.; Zhang, M.; Mishima, M.; Yagupolskii, L.M.; Garlyauskayte, R.Y.; Filatov, A.A.,
Revision of the Gas-Phase Acidity Scale below 300 kcal mol(-1),
J. Phys. Chem. A, 2009, 113, 29, 8421-8424, https://doi.org/10.1021/jp903780k
. [all data]
Adams, Smith, et al., 1986
Adams, N.G.; Smith, D.; Viggiano, A.A.; Paulson, J.F.; Henchman, M.J.,
Dissociative attachment reactions of electron with strong acid molecules,
J. Chem. Phys., 1986, 84, 6728. [all data]
Viggiano, Henchman, et al., 1992
Viggiano, A.A.; Henchman, M.J.; Dale, F.; Deakyne, C.A.; Paulson, J.F.,
Gas-Phase Reactions of Weak Bronsted Bases I-, PO3-, HSO4-, FSO3-, and CF3SO3- with Strong Bronsted Acids H2SO4, FSO3H, and CF3SO3H - A Quantitative Study,
J. Am. Chem. Soc., 1992, 114, 11, 4299, https://doi.org/10.1021/ja00037a039
. [all data]
Blades, Klassen, et al., 1995
Blades, A.T.; Klassen, J.S.; Kebarle, P.,
Free Energies of Hydration in the Gas Phase on the Anions of Some Oxo Acids of C, N, S, P, Cl and I,
J. Am. Chem. Soc., 1995, 117, 42, 10563, https://doi.org/10.1021/ja00147a019
. [all data]
Herd, Misth, et al., 1989
Herd, C.A.; Misth, D.; Adams, N.G.,
A Study of Dissociative Electron Attachment to CF3SO3CH3 and CF3SO3C2H5 Triflate Esters Using the FALP Apparatus,
Int. J. Mass Spectrom. Ion Proc., 1989, 91, 2, 177, https://doi.org/10.1016/0168-1176(89)83007-1
. [all data]
Viggiano, Paulson, et al., 1987
Viggiano, A.A.; Paulson, J.F.; Dale, F.; Henchman, M.,
Negative Ion Chemistry of Triflic Anhydride in the Gas Phase and the Electron Affinity of CF3SO3,
J. Phys. Chem., 1987, 91, 11, 3031, https://doi.org/10.1021/j100295a077
. [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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