Difluoroborane


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.

Quantity Value Units Method Reference Comment
Δfgas-175.40kcal/molReviewChase, 1998Data last reviewed in December, 1965
Quantity Value Units Method Reference Comment
gas,1 bar58.325cal/mol*KReviewChase, 1998Data last reviewed in December, 1965

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. to 1200.1200. to 6000.
A 2.50173118.64840
B 30.206410.644460
C -21.91540-0.124815
D 5.9770800.008361
E 0.035680-2.497730
F -177.1880-186.8480
G 53.4668072.86611
H -175.4000-175.4000
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1965 Data last reviewed in December, 1965

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
Δr373.9 ± 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
Δr366.4 ± 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 as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
13.60 ± 0.05PEChong, Kirby, et al., 1981Vertical value; LLK

De-protonation reactions

BF2- + Hydrogen cation = Difluoroborane

By formula: BF2- + H+ = HBF2

Quantity Value Units Method Reference Comment
Δr373.9 ± 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.; B
Quantity Value Units Method Reference Comment
Δr366.4 ± 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.; 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.

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

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]

Chong, Kirby, et al., 1981
Chong, D.P.; Kirby, C.; Lau, W.M.; Minato, T.; Westwood, N.P.C., Difluoroborane, HBF2. A study by HeI photoelectron spectroscopy, and Ab initio methods including perturbation corrections to Koopmans' Theorem, Chem. Phys., 1981, 59, 75. [all data]


Notes

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