Difluoroborane
- Formula: BF2H
- Molecular weight: 49.816
- IUPAC Standard InChI: InChI=1S/BF2H/c2-1-3/h1H
- IUPAC Standard InChIKey: LRZMJFRZMNWFKE-UHFFFAOYSA-N
- CAS Registry Number: 13709-83-6
- Chemical structure:
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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 ± 0.05 | PE | Chong, Kirby, et al., 1981 | Vertical value; LLK |
De-protonation reactions
BF2- + =
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 373.9 ± 6.1 | kcal/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.; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 366.4 ± 6.2 | kcal/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.; B |
References
Go To: Top, 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.
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]
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]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
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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