Difluoroborane

• Formula: BF₂H
• Molecular weight: 49.816
• IUPAC Standard InChI: InChI=1S/BF2H/c2-1-3/h1H Copy

  
• IUPAC Standard InChIKey: LRZMJFRZMNWFKE-UHFFFAOYSA-N Copy
• CAS Registry Number: 13709-83-6
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Information on this page:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
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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.

Gas Phase Heat Capacity (Shomate Equation)

C_p° = 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
    C_p = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

BF₂^- +  =

By formula: BF₂^- + H⁺ = HBF₂

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

De-protonation reactions

BF₂^- +  =

By formula: BF₂^- + H⁺ = HBF₂

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

Additional references: Jacox, 1998, page 238; Kasuya, Lafferty, et al., 1968; Westwood, Lewis-Bevan, et al., 1984

Notes

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]

Coyle, Ritter, et al., 1964
Coyle, T.D.; Ritter, J.J.; Farrar, T.C., Proc. Chem. Soc., 1964, 25. [all data]

Perec and Becka, 1965
Perec, M.; Becka, L.N., Infrared Spectra of Difluoroborane and Difluoroborane-d, J. Chem. Phys., 1965, 43, 2, 721, https://doi.org/10.1063/1.1696796 . [all data]

Lynds and Bass, 1965
Lynds, L.; Bass, C.D., Vibrational---Rotational Spectrum of Difluoroborane and Difluoroborane-d, J. Chem. Phys., 1965, 43, 12, 4357, https://doi.org/10.1063/1.1696697 . [all data]

Porter and Wason, 1965
Porter, R.F.; Wason, S.K., Reaction of Boroxine with BF3(g). Infrared Spectrum and Stability of HBF2(g), J. Phys. Chem., 1965, 69, 7, 2208, https://doi.org/10.1021/j100891a010 . [all data]

Shirk and Shirk, 1983
Shirk, A.E.; Shirk, J.S., Matrix isolation-mass spectroscopy study of the reaction of boron trifluoride with trimethylamine-alane and trimethylamine-gallane, Inorg. Chem., 1983, 22, 1, 72, https://doi.org/10.1021/ic00143a018 . [all data]

Jacox, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [all data]

Kasuya, Lafferty, et al., 1968
Kasuya, T.; Lafferty, W.J.; Lide, D.R., Microwave Spectrum, Structure, Boron Quadrupole Coupling Constants, and Dipole Moment of Difluoroborane, J. Chem. Phys., 1968, 48, 1, 1, https://doi.org/10.1063/1.1664452 . [all data]

Westwood, Lewis-Bevan, et al., 1984
Westwood, N.P.C.; Lewis-Bevan, W.; Gerry, M.C.L., The microwave spectrum and centrifugal distortion constants of difluoroborane, HBF2, J. Mol. Spectrosc., 1984, 106, 1, 227, https://doi.org/10.1016/0022-2852(84)90095-X . [all data]

Notes

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• Symbols used in this document:
  

  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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