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Carbonic difluoride


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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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Individual Reactions

CF3O- + Hydrogen cation = Carbonic difluoride

By formula: CF3O- + H+ = CF2O

Quantity Value Units Method Reference Comment
Deltar1380. ± 8.4kJ/molG+TSHuey, Dunlea, et al., 1996gas phase; Agrees with G2 calculation: Segovia and Ventura, 1997, Burk, Koppel, et al., 2000, Chyall and Squires, 1996; B
Deltar1454. ± 7.9kJ/molG+TSTaft, Koppel, et al., 1990gas phase; In conflict with Huey, Dunlea, et al., 1996. Bracketing here may be for CF3O- + AH -> CF2=O + HF + A-.; B
Deltar<1431. ± 7.5kJ/molD-EAHuey, Dunlea, et al., 1996gas phase; EA > NO3; B
Deltar1405.1kJ/molAcidLarson and McMahon, 1983gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B
Quantity Value Units Method Reference Comment
Deltar1351. ± 6.7kJ/molIMRBHuey, Dunlea, et al., 1996gas phase; Agrees with G2 calculation: Segovia and Ventura, 1997, Burk, Koppel, et al., 2000, Chyall and Squires, 1996; B
Deltar1425. ± 6.3kJ/molIMRBTaft, Koppel, et al., 1990gas phase; In conflict with Huey, Dunlea, et al., 1996. Bracketing here may be for CF3O- + AH -> CF2=O + HF + A-.; B
Deltar1377. ± 5.0kJ/molH-TSLarson and McMahon, 1983gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B

Fluorine anion + Carbonic difluoride = (Fluorine anion bullet Carbonic difluoride)

By formula: F- + CF2O = (F- bullet CF2O)

Quantity Value Units Method Reference Comment
Deltar178.kJ/molICRLarson and McMahon, 1985gas phase; switching reaction,Thermochemical ladder(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Deltar178.kJ/molICRLarson and McMahon, 1983gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity Value Units Method Reference Comment
Deltar120.J/mol*KN/ALarson and McMahon, 1985gas phase; switching reaction,Thermochemical ladder(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Deltar121.J/mol*KN/ALarson and McMahon, 1983gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity Value Units Method Reference Comment
Deltar142.kJ/molICRLarson and McMahon, 1985gas phase; switching reaction,Thermochemical ladder(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Deltar142.kJ/molICRLarson and McMahon, 1984gas phase; switching reaction(F-)PF3; M
Deltar142.kJ/molICRLarson and McMahon, 1983gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M

CN- + Carbonic difluoride = (CN- bullet Carbonic difluoride)

By formula: CN- + CF2O = (CN- bullet CF2O)

Quantity Value Units Method Reference Comment
Deltar98.3 ± 4.2kJ/molIMRELarson, Szulejko, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar150.J/mol*KN/ALarson, Szulejko, et al., 1988gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M
Quantity Value Units Method Reference Comment
Deltar54.8 ± 2.1kJ/molIMRELarson, Szulejko, et al., 1988gas phase; B,M

Chlorine anion + Carbonic difluoride = (Chlorine anion bullet Carbonic difluoride)

By formula: Cl- + CF2O = (Cl- bullet CF2O)

Quantity Value Units Method Reference Comment
Deltar52.3 ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar84.J/mol*KN/ALarson and McMahon, 1985gas phase; switching reaction,Thermochemical ladder(Cl-)t-C4H9OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar28. ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; B,M

2Carbonic difluoride = Carbon dioxide + Tetrafluoromethane

By formula: 2CF2O = CO2 + CF4

Quantity Value Units Method Reference Comment
Deltar-45.6 ± 9.2kJ/molEqkAmphlett, Dacey, et al., 1971gas phase; Heat of Decomposition third law at 1200 K; ALS

Carbonic difluoride + Water = Carbon dioxide + 2hydrogen fluoride

By formula: CF2O + H2O = CO2 + 2HF

Quantity Value Units Method Reference Comment
Deltar-111.8 ± 1.0kJ/molCcrWartenberg, 1949gas phase; solvent: Gas phase;; Corrected for CODATA value of «DELTA»fH; ALS

bis(trifluoromethyl) peroxide = Carbonic difluoride + CF4O

By formula: C2F6O2 = CF2O + CF4O

Quantity Value Units Method Reference Comment
Deltar102.5 ± 2.9kJ/molEqkLevy and Kennedy, 1972gas phase; ALS

References

Go To: Top, Reaction thermochemistry data, Notes

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

Huey, Dunlea, et al., 1996
Huey, L.G.; Dunlea, E.J.; Howard, C.J., Gas-Phase Acidity of CF3OH, J. Phys. Chem., 1996, 100, 16, 6504, https://doi.org/10.1021/jp953058m . [all data]

Segovia and Ventura, 1997
Segovia, M.; Ventura, O.N., Density functional and G2 study of the strength of the OH bond in CF3OH, Chem. Phys. Lett., 1997, 277, 5-6, 490-496, https://doi.org/10.1016/S0009-2614(97)00860-9 . [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]

Chyall and Squires, 1996
Chyall, L.J.; Squires, R.R., The Proton Affinity and Absolute Heat of Formation of Trifluoromethanpl, J. Phys. Chem., 1996, 100, 16435. [all data]

Taft, Koppel, et al., 1990
Taft, R.W.; Koppel, I.J.; Topsom, R.D.; Anvia, F., Acidities of OH Compounds, including Alcohols, Phenols, Carboxylic Acids, and Mineral Acids, J. Am. Chem. Soc., 1990, 112, 6, 2047, https://doi.org/10.1021/ja00162a001 . [all data]

Larson and McMahon, 1983
Larson, J.W.; McMahon, T.B., Strong hydrogen bonding in gas-phase anions. An ion cyclotron resonance determination of fluoride binding energetics to bronsted acids from gas-phase fluoride exchange equilibria measurements, J. Am. Chem. Soc., 1983, 105, 2944. [all data]

Wenthold and Squires, 1995
Wenthold, P.G.; Squires, R.R., Bond dissociation energies of F2(-) and HF2(-). A gas-phase experimental and G2 theoretical study, J. Phys. Chem., 1995, 99, 7, 2002, https://doi.org/10.1021/j100007a034 . [all data]

Larson and McMahon, 1985
Larson, J.W.; McMahon, T.B., Fluoride and chloride affinities of the main group oxides, fluorides, oxofluorides, and alkyls. Quantitative scales of lewis acidities from ICR halide exchange equilibria, J. Am. Chem. Soc., 1985, 107, 766. [all data]

Arshadi, Yamdagni, et al., 1970
Arshadi, M.; Yamdagni, R.; Kebarle, P., Hydration of Halide Negative Ions in the Gas Phase. II. Comparison of Hydration Energies for the Alkali Positive and Halide Negative Ions, J. Phys. Chem., 1970, 74, 7, 1475, https://doi.org/10.1021/j100702a014 . [all data]

Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B., Fluoride and chloride affinities of main group oxides, fluorides, oxofluorides, and alkyls. Quantitative scales of lewis acidities from ion cyclotron resonance halide-exchange equilibria, J. Phys. Chem., 1984, 88, 1083. [all data]

Larson, Szulejko, et al., 1988
Larson, J.W.; Szulejko, J.E.; McMahon, T.B., Gas Phase Lewis Acid-Base Interactions. An Experimental Determination of Cyanide Binding Energies From Ion Cyclotron Resonance and High-Pressure Mass Spectrometric Equilibrium Measurements., J. Am. Chem. Soc., 1988, 110, 23, 7604, https://doi.org/10.1021/ja00231a004 . [all data]

Payzant, Yamdagni, et al., 1971
Payzant, J.D.; Yamdagni, R.; Kebarle, P., Hydration of CN-, NO2-, NO3-, and HO- in the gas phase, Can. J. Chem., 1971, 49, 3308. [all data]

Amphlett, Dacey, et al., 1971
Amphlett, J.C.; Dacey, J.R.; Pritchard, G.O., An investigation of the reaction 2COF2 = CO2 + CF4 and the heat of formation of carbonyl fluoride, J. Phys. Chem., 1971, 75, 3024-3026. [all data]

Wartenberg, 1949
Wartenberg, H.V., Die bildungswarme einiger fluorid, Z. Anorg. Chem., 1949, 258, 354-360. [all data]

Levy and Kennedy, 1972
Levy, J.B.; Kennedy, R.C., Bistrifluoromethyl peroxide. I. Thermodynamics of the equilibrium with carbonyl fluoride and trifluoromethyl hypofluorite, J. Am. Chem. Soc., 1972, 94, 3302-3305. [all data]


Notes

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