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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
Deltafgas-733.87kJ/molReviewChase, 1998Data last reviewed in December, 1965
Quantity Value Units Method Reference Comment
gas,1 bar244.03J/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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. - 1200.1200. - 6000.
A 10.4672478.02491
B 126.38362.696422
C -91.69403-0.522226
D 25.008100.034981
E 0.149287-10.45050
F -741.3546-781.7720
G 223.7051304.8718
H -733.8736-733.8736
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
Deltar1564. ± 26.kJ/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
Deltar1533. ± 26.kJ/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
Deltar1564. ± 26.kJ/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
Deltar1533. ± 26.kJ/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

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 BH stretch 2620.8 ± 0.5 gas IR Coyle, Ritter, et al., 1964
Perec and Becka, 1965
Lynds and Bass, 1965
Porter and Wason, 1965
1 BH stretch 2644 N2 IR Shirk and Shirk, 1983
2 BF2 s-stretch 1164.2 ± 0.5 gas IR Coyle, Ritter, et al., 1964
Perec and Becka, 1965
Lynds and Bass, 1965
Porter and Wason, 1965
2 BF2 s-stretch 1156 N2 IR Shirk and Shirk, 1983
3 BF2 scissors 541.5 ± 0.5 gas IR Coyle, Ritter, et al., 1964
Perec and Becka, 1965
Lynds and Bass, 1965
Porter and Wason, 1965
3 BF2 scissors 542 N2 IR Shirk and Shirk, 1983
b1 4 OPLA 923.5 ± 0.5 gas IR Coyle, Ritter, et al., 1964
Perec and Becka, 1965
Lynds and Bass, 1965
Porter and Wason, 1965
4 OPLA 918 N2 IR Shirk and Shirk, 1983
b2 5 BF2 a-stretch 1402 vs gas IR Coyle, Ritter, et al., 1964
Perec and Becka, 1965
Porter and Wason, 1965
5 BF2 a-stretch 1385.1 N2 IR Shirk and Shirk, 1983

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

Notes

vsVery strong

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes

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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