Difluoroboryl radical
- Formula: BF2
- Molecular weight: 48.808
- IUPAC Standard InChI: InChI=1S/BF2/c2-1-3
- IUPAC Standard InChIKey: OKZIUSOJQLYFSE-UHFFFAOYSA-N
- CAS Registry Number: 13842-55-2
- 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 | -141.00 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1972 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 59.073 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1972 |
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 800. | 800. to 6000. |
|---|---|---|
| A | 3.769260 | 14.02540 |
| B | 24.77880 | -0.217175 |
| C | -24.31621 | 0.079113 |
| D | 8.856131 | -0.004856 |
| E | 0.041123 | -0.829874 |
| F | -142.8900 | -147.4430 |
| G | 57.47930 | 72.78781 |
| H | -141.0000 | -141.0000 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in June, 1972 | Data last reviewed in June, 1972 |
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 as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
B - John E. Bartmess
View reactions leading to BF2+ (ion structure unspecified)
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 2.13 ± 0.13 | IMRE | Srivastava, Uy, et al., 1974 | EA: 29.2 kcal < EA(F), new EA(F) used. Too stable by ca. 24 kcal/mol, relative to G3(MP2)B3 calcs.; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.4 | DER | Lias, Bartmess, et al., 1988 | LL |
| 9.0 ± 1.0 | EI | Farber and Srivastava, 1984 | LBLHLM |
| 9. ± 1. | EI | Uy, Srivastava, et al., 1971 | LLK |
| 8. ± 1. | EI | Srivastava and Farber, 1971 | LLK |
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]
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]
Lias, Bartmess, et al., 1988
Lias, S.G.; Bartmess, J.E.; Liebman, J.F.; Holmes, J.L.; Levin, R.D.; Mallard, W.G.,
Gas-phase ion and neutral thermochemistry,
J. Phys. Chem. Ref. Data, Suppl. 1, 1988, 17, 1-861. [all data]
Farber and Srivastava, 1984
Farber, M.; Srivastava, R.D.,
Electron and thermal dissociation of BF3(g),
J. Chem. Phys., 1984, 81, 241. [all data]
Uy, Srivastava, et al., 1971
Uy, O.M.; Srivastava, R.D.; Farber, M.,
Mass spectrometric determination of the heats of formation of gaseous BO2 BOF2,
High Temp. Sci., 1971, 3, 462. [all data]
Srivastava and Farber, 1971
Srivastava, R.D.; Farber, M.,
Thermodynamic properties of the B-Cl-F system from mass spectrometer investigations,
J. Chem. Soc. Faraday Trans., 1971, 67, 2298. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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