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Difluoroborane anion


Gas phase 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

Quantity Value Units Method Reference Comment
Deltafgas-168.6 ± 3.8kcal/molR-EASrivastava, Uy, et al., 1974EA: 29.2 kcal < EA(F), new EA(F) used. Too stable by ca. 24 kcal/mol, relative to G3(MP2)B3 calcs.; B
Quantity Value Units Method Reference Comment
gas,1 bar57.538cal/mol*KReviewChase, 1998Data last reviewed in June, 1972

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

BF2- + Hydrogen cation = Difluoroborane

By formula: BF2- + H+ = HBF2

Quantity Value Units Method Reference Comment
Deltar373.9 ± 6.1kcal/molD-EASrivastava, Uy, et al., 1974gas phase; EA: 29.2 kcal < EA(F), new EA(F) used. Too stable by ca. 24 kcal/mol, relative to G3(MP2)B3 calcs.
Quantity Value Units Method Reference Comment
Deltar366.4 ± 6.2kcal/molH-TSSrivastava, Uy, et al., 1974gas phase; EA: 29.2 kcal < EA(F), new EA(F) used. Too stable by ca. 24 kcal/mol, relative to G3(MP2)B3 calcs.

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

BF2- + Hydrogen cation = Difluoroborane

By formula: BF2- + H+ = HBF2

Quantity Value Units Method Reference Comment
Deltar373.9 ± 6.1kcal/molD-EASrivastava, Uy, et al., 1974gas phase; EA: 29.2 kcal < EA(F), new EA(F) used. Too stable by ca. 24 kcal/mol, relative to G3(MP2)B3 calcs.
Quantity Value Units Method Reference Comment
Deltar366.4 ± 6.2kcal/molH-TSSrivastava, Uy, et al., 1974gas phase; EA: 29.2 kcal < EA(F), new EA(F) used. Too stable by ca. 24 kcal/mol, relative to G3(MP2)B3 calcs.

Vibrational and/or electronic energy levels

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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: Marilyn E. Jacox

State:   X


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a1 1 BF2 s-stretch 847.2 Ne IR Jacox and Thompson, 2011
b2 3 BF2 a-stretch 855.7 Ne IR Jacox and Thompson, 2011


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.

Srivastava, Uy, et al., 1974
Srivastava, R.D.; Uy, O.M.; Farber, M., Experimental determination of heats of formation of negative ions and electron affinities of several boron and aluminum fluorides, J. Chem. Soc. Faraday Trans. 1, 1974, 70, 1033. [all data]

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Jacox and Thompson, 2011
Jacox, M.E.; Thompson, W.E., The infrared spectra of BF3+ and BF2OH+ trapped in solid neon, J. Chem. Phys., 2011, 134, 19, 194306, https://doi.org/10.1063/1.3587133 . [all data]


Notes

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