Difluoroborane
- Formula: BF2H
- Molecular weight: 49.816
- IUPAC Standard InChIKey: LRZMJFRZMNWFKE-UHFFFAOYSA-N
- CAS Registry Number: 13709-83-6
- Chemical structure:
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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.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -733.87 | kJ/mol | Review | Chase, 1998 | Data last reviewed in December, 1965 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 244.03 | J/mol*K | Review | Chase, 1998 | Data 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. to 1200. | 1200. to 6000. |
---|---|---|
A | 10.46724 | 78.02491 |
B | 126.3836 | 2.696422 |
C | -91.69403 | -0.522226 |
D | 25.00810 | 0.034981 |
E | 0.149287 | -10.45050 |
F | -741.3546 | -781.7720 |
G | 223.7051 | 304.8718 |
H | -733.8736 | -733.8736 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in December, 1965 | Data last reviewed in December, 1965 |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, References, Notes
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- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1564. ± 26. | kJ/mol | D-EA | Srivastava, Uy, et al., 1974 | gas 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 |
ΔrG° | 1533. ± 26. | kJ/mol | H-TS | Srivastava, Uy, et al., 1974 | gas 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
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References, Notes
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
vs | Very strong |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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]
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
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Vibrational and/or electronic energy levels, References
- 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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