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1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol


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

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Clustering reactions

CN- + C4H4F6O = (CN- bullet C4H4F6O)

By formula: CN- + C4H4F6O = (CN- bullet C4H4F6O)

Quantity Value Units Method Reference Comment
Deltar108. ± 15.kJ/molIMRELarson and McMahon, 1987gas phase; B,M,M
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KN/ALarson and McMahon, 1987gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M
Deltar110.J/mol*KN/ALarson and McMahon, 1987gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M
Quantity Value Units Method Reference Comment
Deltar74.5 ± 9.6kJ/molIMRELarson and McMahon, 1987gas phase; B,M,M

Chlorine anion + C4H4F6O = (Chlorine anion bullet C4H4F6O)

By formula: Cl- + C4H4F6O = (Cl- bullet C4H4F6O)

Quantity Value Units Method Reference Comment
Deltar111.kJ/molICRLarson and McMahon, 1984gas phase; switching reaction(Cl-)HCOOH, Entropy change calculated or estimated, DG>, «DELTA»rH>; Larson and McMahon, 1984, 2; M
Quantity Value Units Method Reference Comment
Deltar105.J/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)HCOOH, Entropy change calculated or estimated, DG>, «DELTA»rH>; Larson and McMahon, 1984, 2; M
Quantity Value Units Method Reference Comment
Deltar79.5kJ/molICRLarson and McMahon, 1984gas phase; switching reaction(Cl-)HCOOH, Entropy change calculated or estimated, DG>, «DELTA»rH>; Larson and McMahon, 1984, 2; M

Fluorine anion + C4H4F6O = (Fluorine anion bullet C4H4F6O)

By formula: F- + C4H4F6O = (F- bullet C4H4F6O)

Quantity Value Units Method Reference Comment
Deltar192. ± 8.4kJ/molIMRELarson 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
Deltar159. ± 8.4kJ/molIMRELarson 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

References

Go To: Top, Ion clustering data, Notes

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

Larson and McMahon, 1987
Larson, J.W.; McMahon, T.B., Hydrogen bonding in gas phase anions. The energetics of interaction between cyanide ion and bronsted acids, J. Am. Chem. Soc., 1987, 109, 6230. [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]

Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B., Hydrogen bonding in gas phase anions. An experimental investigation of the interaction between chloride ion and bronsted acids from ICR chloride exchange equilibria, J. Am. Chem. Soc., 1984, 106, 517. [all data]

Larson and McMahon, 1984, 2
Larson, J.W.; McMahon, T.B., Gas phase negative ion chemistry of alkylchloroformates, Can. J. Chem., 1984, 62, 675. [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]


Notes

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