CF3SO3 anion


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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

CF3O3S- + Hydrogen cation = CHF3O3S

By formula: CF3O3S- + H+ = CHF3O3S

Quantity Value Units Method Reference Comment
Δr305.4 ± 2.2kcal/molG+TSKoppel, Taft, et al., 1994gas 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
Δr<313.6 ± 2.0kcal/molEIAEAdams, Smith, et al., 1986gas phase; From CF3SO3H,anhydride
Quantity Value Units Method Reference Comment
Δr299.5 ± 2.0kcal/molIMREKoppel, Taft, et al., 1994gas 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
Δr298.8 ± 2.5kcal/molIMRBViggiano, Henchman, et al., 1992gas phase

(CF3O3S- • Water) + Water = (CF3O3S- • 2Water)

By formula: (CF3O3S- • H2O) + H2O = (CF3O3S- • 2H2O)

Quantity Value Units Method Reference Comment
Δr10.8 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K
Quantity Value Units Method Reference Comment
Δr3.80 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K

CF3O3S- + Water = (CF3O3S- • Water)

By formula: CF3O3S- + H2O = (CF3O3S- • H2O)

Quantity Value Units Method Reference Comment
Δr11.6 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K
Quantity Value Units Method Reference Comment
Δr4.60 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K

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
>5.299963LPDHerd, Misth, et al., 1989No detachment with 5.49 eV photons
>4.90 ± 0.20IMRBViggiano, Paulson, et al., 1987ΔGacid: CF3SO3H<FSO3H<H2SO4<HPO3<HI, ΔGacid(CF3SO3H)<313.6 kcal

Protonation reactions

CF3O3S- + Hydrogen cation = CHF3O3S

By formula: CF3O3S- + H+ = CHF3O3S

Quantity Value Units Method Reference Comment
Δr305.4 ± 2.2kcal/molG+TSKoppel, Taft, et al., 1994gas 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
Δr<313.6 ± 2.0kcal/molEIAEAdams, Smith, et al., 1986gas phase; From CF3SO3H,anhydride
Quantity Value Units Method Reference Comment
Δr299.5 ± 2.0kcal/molIMREKoppel, Taft, et al., 1994gas 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
Δr298.8 ± 2.5kcal/molIMRBViggiano, Henchman, et al., 1992gas phase

Ion clustering 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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

CF3O3S- + Water = (CF3O3S- • Water)

By formula: CF3O3S- + H2O = (CF3O3S- • H2O)

Quantity Value Units Method Reference Comment
Δr11.6 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K
Quantity Value Units Method Reference Comment
Δr4.60 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K

(CF3O3S- • Water) + Water = (CF3O3S- • 2Water)

By formula: (CF3O3S- • H2O) + H2O = (CF3O3S- • 2H2O)

Quantity Value Units Method Reference Comment
Δr10.8 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K
Quantity Value Units Method Reference Comment
Δr3.80 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K

References

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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

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