Difluoroborane anion
- Formula: BF2-
- Molecular weight: 48.808
- CAS Registry Number: 26202-31-3
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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.
Data compiled as indicated in comments:
B - John E. Bartmess
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -168.6 ± 3.8 | kcal/mol | R-EA | 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 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 57.538 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1972 |
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
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
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. |
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. |
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 by: John E. Bartmess
Protonation reactions
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. |
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. |
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 | BF2 s-stretch | 847.2 | Ne | IR | Jacox and Thompson, 2011 | |
b2 | 3 | BF2 a-stretch | 855.7 | Ne | IR | Jacox and Thompson, 2011 | |
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.
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]
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Jacox and Thompson, 2011
Jacox, M.E.; Thompson, W.E.,
The infrared spectra of BF3+ and BF2OH+ trapped in solid neon,
J. Chem. Phys., 2011, 134, 19, 194306, https://doi.org/10.1063/1.3587133
. [all data]
Notes
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- 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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