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1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)-2-propanol


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

Fluorine anion + 1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)-2-propanol = (Fluorine anion bullet 1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)-2-propanol)

By formula: F- + C4HF9O = (F- bullet C4HF9O)

Quantity Value Units Method Reference Comment
Deltar236. ± 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
Deltar200. ± 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

Iodide + 1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)-2-propanol = (Iodide bullet 1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)-2-propanol)

By formula: I- + C4HF9O = (I- bullet C4HF9O)

Quantity Value Units Method Reference Comment
Deltar97.1 ± 4.2kJ/molTDAsCaldwell, Masucci, et al., 1989gas phase; B,M

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, 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]

Caldwell, Masucci, et al., 1989
Caldwell, G.W.; Masucci, J.A.; Ikonomou, M.G., Negative Ion Chemical Ionization Mass Spectrometry - Binding of Molecules to Bromide and Iodide Anions, Org. Mass Spectrom., 1989, 24, 1, 8, https://doi.org/10.1002/oms.1210240103 . [all data]


Notes

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