HCF2 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 by: John E. Bartmess

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Individual Reactions

CHF2- + Hydrogen cation = Difluoromethane

By formula: CHF2- + H+ = CH2F2

Quantity Value Units Method Reference Comment
Δr389.0 ± 3.5kcal/molCIDTGraul and Squires, 1990gas phase; G2 calculations( Lee, Dyke, et al., 1998) predict ΔHacid = 399 kcal/mol
Quantity Value Units Method Reference Comment
Δr381.2 ± 3.6kcal/molH-TSGraul and Squires, 1990gas phase; G2 calculations( Lee, Dyke, et al., 1998) predict ΔHacid = 399 kcal/mol
Δr379.0 ± 6.0kcal/molIMRBSullivan, 1977gas phase

Gas phase ion energetics 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 by: John E. Bartmess

Protonation reactions

CHF2- + Hydrogen cation = Difluoromethane

By formula: CHF2- + H+ = CH2F2

Quantity Value Units Method Reference Comment
Δr389.0 ± 3.5kcal/molCIDTGraul and Squires, 1990gas phase; G2 calculations( Lee, Dyke, et al., 1998) predict ΔHacid = 399 kcal/mol
Quantity Value Units Method Reference Comment
Δr381.2 ± 3.6kcal/molH-TSGraul and Squires, 1990gas phase; G2 calculations( Lee, Dyke, et al., 1998) predict ΔHacid = 399 kcal/mol
Δr379.0 ± 6.0kcal/molIMRBSullivan, 1977gas phase

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.

Graul and Squires, 1990
Graul, S.T.; Squires, R.R., Gas-Phase Acidities Derived from Threshold Energies for Activated Reactions, J. Am. Chem. Soc., 1990, 112, 7, 2517, https://doi.org/10.1021/ja00163a007 . [all data]

Lee, Dyke, et al., 1998
Lee, E.P.F.; Dyke, J.M.; Mayhew, C.A., Study of the OH-+CH2F2 reaction by selected ion flow tube experiments and ab initio calculations, J. Phys. Chem. A, 1998, 102, 43, 8349-8354, https://doi.org/10.1021/jp982224y . [all data]

Sullivan, 1977
Sullivan, S.A., Thesis, Cal. Inst. Tech. thesis,, 1977. [all data]


Notes

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