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CF3CO2 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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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

CF3CO2 anion + Hydrogen cation = Trifluoroacetic acid

By formula: C2F3O2- + H+ = C2HF3O2

Quantity Value Units Method Reference Comment
Deltar323.8 ± 2.9kcal/molG+TSCaldwell, Renneboog, et al., 1989gas phase; B
Deltar322.8 ± 2.9kcal/molG+TSJinfeng, Topsom, et al., 1988gas phase; value altered from reference due to change in acidity scale; B
Deltar322.8 ± 4.1kcal/molG+TSCumming and Kebarle, 1978gas phase; B
Quantity Value Units Method Reference Comment
Deltar317.4 ± 2.0kcal/molIMRECaldwell, Renneboog, et al., 1989gas phase; B
Deltar316.4 ± 2.0kcal/molIMREJinfeng, Topsom, et al., 1988gas phase; value altered from reference due to change in acidity scale; B
Deltar316.3 ± 2.0kcal/molIMRECumming and Kebarle, 1978gas phase; B

CF3CO2 anion + Water = (CF3CO2 anion bullet Water)

By formula: C2F3O2- + H2O = (C2F3O2- bullet H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar13.8 ± 1.5kcal/molN/ABlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Deltar13.7 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar23.9cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar6.80 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M
Deltar6.5 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

(CF3CO2 anion bullet Water) + Water = (CF3CO2 anion bullet 2Water)

By formula: (C2F3O2- bullet H2O) + H2O = (C2F3O2- bullet 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar11.7 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Deltar4.70 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M

Gas phase ion energetics data

Go To: Top, Reaction thermochemistry data, Ion clustering 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
4.46 ± 0.18D-EACaldwell, Renneboog, et al., 1989 

Protonation reactions

CF3CO2 anion + Hydrogen cation = Trifluoroacetic acid

By formula: C2F3O2- + H+ = C2HF3O2

Quantity Value Units Method Reference Comment
Deltar323.8 ± 2.9kcal/molG+TSCaldwell, Renneboog, et al., 1989gas phase
Deltar322.8 ± 2.9kcal/molG+TSJinfeng, Topsom, et al., 1988gas phase; value altered from reference due to change in acidity scale
Deltar322.8 ± 4.1kcal/molG+TSCumming and Kebarle, 1978gas phase
Quantity Value Units Method Reference Comment
Deltar317.4 ± 2.0kcal/molIMRECaldwell, Renneboog, et al., 1989gas phase
Deltar316.4 ± 2.0kcal/molIMREJinfeng, Topsom, et al., 1988gas phase; value altered from reference due to change in acidity scale
Deltar316.3 ± 2.0kcal/molIMRECumming and Kebarle, 1978gas phase

Ion clustering data

Go To: Top, Reaction thermochemistry data, 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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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

CF3CO2 anion + Water = (CF3CO2 anion bullet Water)

By formula: C2F3O2- + H2O = (C2F3O2- bullet H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar13.8 ± 1.5kcal/molN/ABlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Deltar13.7 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar23.9cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar6.80 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M
Deltar6.5 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

(CF3CO2 anion bullet Water) + Water = (CF3CO2 anion bullet 2Water)

By formula: (C2F3O2- bullet H2O) + H2O = (C2F3O2- bullet 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar11.7 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Deltar4.70 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Caldwell, Renneboog, et al., 1989
Caldwell, G.; Renneboog, R.; Kebarle, P., Gas Phase Acidities of Aliphatic Carboxylic Acids, Based on Measurements of Proton Transfer Equilibria, Can. J. Chem., 1989, 67, 4, 661, https://doi.org/10.1139/v89-092 . [all data]

Jinfeng, Topsom, et al., 1988
Jinfeng, C.; Topsom, R.D.; Headley, A.D.; Koppel, I.; Mishima, M.; Taft, R.W.; Veji, S., Acidities of Substituted Acetic Acids, J. Mol. Struct., 1988, 168, 141, https://doi.org/10.1016/0166-1280(88)80349-X . [all data]

Cumming and Kebarle, 1978
Cumming, J.B.; Kebarle, P., Summary of gas phase measurements involving acids AH. Entropy changes in proton transfer reactions involving negative ions. Bond dissociation energies D(A-H) and electron affinities EA(A), Can. J. Chem., 1978, 56, 1. [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]

Meot-Ner and Sieck, 1986
Meot-Ner, M.; Sieck, L.W., The ionic hydrogen bond and ion solvation. 5. OH...O- bonds. Gas phase solvation and clustering of alkoxide and carboxylate anions, J. Am. Chem. Soc., 1986, 108, 7525. [all data]


Notes

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, References