Difluorohydroxyborane
- Formula: BF2HO
- Molecular weight: 65.815
- IUPAC Standard InChI: InChI=1S/BF2HO/c2-1(3)4/h4H
- IUPAC Standard InChIKey: OKVJWADVFPXWQD-UHFFFAOYSA-N
- CAS Registry Number: 13867-66-8
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics data, References, Notes
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 | -259.001 | kcal/mol | Review | Chase, 1998 | Data last reviewed in March, 1965 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 64.333 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in March, 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 1100. | 1100. to 6000. |
|---|---|---|
| A | 1.464081 | 22.87610 |
| B | 45.42359 | 1.540420 |
| C | -36.42811 | -0.297055 |
| D | 10.97920 | 0.019879 |
| E | 0.032042 | -2.764941 |
| F | -261.0480 | -272.6150 |
| G | 54.26429 | 82.34089 |
| H | -259.0000 | -259.0000 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in March, 1965 | Data last reviewed in March, 1965 |
Gas phase ion energetics data
Go To: Top, Gas phase 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: John E. Bartmess
De-protonation reactions
BF2O- + =
By formula: BF2O- + H+ = HBF2O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 377.5 ± 8.3 | kcal/mol | Acid | Larson and McMahon, 1987 | gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable. |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, 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]
Larson and McMahon, 1987
Larson, J.W.; McMahon, T.B.,
Trends in Gas Phase Fluoride Ion Affinities of the Main Group Oxyfluorides and Fluoride Sulfides. Fluoride Adducts of FAsO, FPO, FPO2, F2SiO, F4SO, FBO, F2SiS, FPS, FAsS, F2S2, and S2O.,
Inorg. Chem., 1987, 26, 24, 4018, https://doi.org/10.1021/ic00271a011
. [all data]
Wenthold and Squires, 1995
Wenthold, P.G.; Squires, R.R.,
Bond dissociation energies of F2(-) and HF2(-). A gas-phase experimental and G2 theoretical study,
J. Phys. Chem., 1995, 99, 7, 2002, https://doi.org/10.1021/j100007a034
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, 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 ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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