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Boron trifluoride

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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 - J.E. Bartmess
M - M. M. Meot-Ner (Mautner) and S. G. Lias

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Clustering reactions

CH3O- + Boron trifluoride = (CH3O- bullet Boron trifluoride)

By formula: CH3O- + BF3 = (CH3O- bullet BF3)

Quantity Value Units Method Reference Comment
Deltar>92.0 ± 8.4kJ/molIMRBBlair, Isolani, et al., 1973gas phase; MeOH..MeO- + BF3 ->. Computations indicate dHaff ca. 80 kcal/mol; B

Chlorine anion + Boron trifluoride = (Chlorine anion bullet Boron trifluoride)

By formula: Cl- + BF3 = (Cl- bullet BF3)

Quantity Value Units Method Reference Comment
Deltar109. ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar96.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
Deltar80.8 ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; B,M

Fluorine anion + Boron trifluoride = (Fluorine anion bullet Boron trifluoride)

By formula: F- + BF3 = (F- bullet BF3)

Quantity Value Units Method Reference Comment
Deltar340. ± 60.kJ/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar266. ± 8.4kJ/molIMRELarson and McMahon, 1985gas 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

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

Blair, Isolani, et al., 1973
Blair, L.K.; Isolani, P.C.; Riveros, J.M., Formation, reactivity, and relative stability of clustered alkoxide ions by ICR spectroscopy, J. Am. Chem. Soc., 1973, 95, 1057. [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]

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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