Boron trifluoride
- Formula: BF3
- Molecular weight: 67.806
- IUPAC Standard InChIKey: WTEOIRVLGSZEPR-UHFFFAOYSA-N
- CAS Registry Number: 7637-07-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Borane, trifluoro-; Boron fluoride (BF3); Boron fluoride; Trifluoroborane; Trifluoroboron; BF3; Fluorure de bore; UN 1008; Anca 1040
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Phase change 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.
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
118.5 to 172.5 | 4.67644 | 663.463 | -30.795 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Gas phase ion energetics data
Go To: Top, Phase change data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
View reactions leading to BF3+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 15.7 ± 0.3 | eV | N/A | N/A | L |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
2.65003 | SI | Page and Goode, 1969 | The Magnetron method, lacking mass analysis, is not considered reliable.; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
16.0 ± 1.0 | EI | Farber and Srivastava, 1984 | LBLHLM |
15.94 | PE | Kimura, Katsumata, et al., 1981 | LLK |
15.5 | PE | Asbrink, Svensson, et al., 1981 | LLK |
15.96 ± 0.01 | TE | Batten, Taylor, et al., 1978 | LLK |
15.25 | PE | Berger, Kroner, et al., 1976 | LLK |
15.71 ± 0.10 | EI | Murphy and Enrione, 1971 | LLK |
15.57 ± 0.02 | PE | Bassett and Lloyd, 1971 | LLK |
15.55 ± 0.04 | PI | Dibeler and Liston, 1968 | RDSH |
15.96 | PE | Dehmer, Parr, et al., 1984 | Vertical value; LBLHLM |
16.0 | PE | Asbrink, Svensson, et al., 1981 | Vertical value; LLK |
15.95 | PE | King, Krishnamurthy, et al., 1972 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
B+ | 31.3 ± 0.4 | ? | EI | Hildenbrand, Theard, et al., 1963 | RDSH |
B+ | 31. ± 1. | ? | EI | Marriott and Craggs, 1957 | RDSH |
B+ | 30. ± 5. | ? | EI | Law and Margrave, 1956 | RDSH |
BF+ | 24.0 ± 1.0 | 2F | EI | Farber and Srivastava, 1984 | LBLHLM |
BF+ | 25.2 ± 0.2 | 2F | EI | Marriott and Craggs, 1957 | RDSH |
BF2+ | 16.0 ± 1.0 | F | EI | Farber, Srivastava, et al., 1982 | LBLHLM |
BF2+ | 15.92 | F | PI | Batten, Taylor, et al., 1978 | LLK |
BF2+ | ~16. | ? | EI | Uy, Srivastava, et al., 1971 | LLK |
BF2+ | 15.81 ± 0.04 | F | PI | Dibeler and Liston, 1968 | RDSH |
F+ | 30.0 ± 1.0 | BF+F | EI | Farber and Srivastava, 1984 | LBLHLM |
F+ | 32. ± 2. | ? | EI | Marriott and Craggs, 1957 | RDSH |
References
Go To: Top, Phase change 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.
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Page and Goode, 1969
Page, F.M.; Goode, G.C.,
Negative Ions and the Magnetron., Wiley, NY, 1969. [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]
Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S.,
Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules
in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]
Asbrink, Svensson, et al., 1981
Asbrink, L.; Svensson, A.; Von Niessen, W.; Bieri, G.,
30.4 nm He(II) photoelectron spectra of organic molecules,
J. Electron Spectrosc. Relat. Phenom., 1981, 24, 293. [all data]
Batten, Taylor, et al., 1978
Batten, C.F.; Taylor, J.A.; Tsai, B.P.; Meisels, G.G.,
Photoionization processes at threshold. II. Threshold photoelectron, photoionization, and coincidence ion-threshold photoelectron spectra of BF3,
J. Chem. Phys., 1978, 69, 2547. [all data]
Berger, Kroner, et al., 1976
Berger, H.-O.; Kroner, J.; Noth, H.,
Die borhalogen-bindung in Methylhalogenboranen: Photoelektronenspektren und ab initio-Rechnungen,
Chem. Ber., 1976, 109, 2266. [all data]
Murphy and Enrione, 1971
Murphy, C.B., Jr.; Enrione, R.E.,
Mass spectrometric determination of bond dissociation energies in BF3.OEt2,
Chem. Commun., 1971, 1622. [all data]
Bassett and Lloyd, 1971
Bassett, P.J.; Lloyd, D.R.,
Photoelectron spectra of halides. Part II.High-resolution spectra of the boron trihalides,
J. Chem. Soc., 1971, (A), 1551. [all data]
Dibeler and Liston, 1968
Dibeler, V.H.; Liston, S.K.,
Mass spectrometric study of photoionization. XII.Boron trifluoride and diboron tetrafluoride,
Inorg. Chem., 1968, 7, 1742. [all data]
Dehmer, Parr, et al., 1984
Dehmer, J.L.; Parr, A.C.; Southworth, S.H.; Holland, D.M.P.,
Angle-resolved photoelectron study of the valence levels of BF3 in the range 17<hv<28 eV,
Phys. Rev. A:, 1984, 30, 1783. [all data]
King, Krishnamurthy, et al., 1972
King, G.H.; Krishnamurthy, S.S.; Lappert, M.F.; Pedley, J.B.,
Bonding studies of compounds of boron and the Group 4 elements. Part 9. Photoelectron spectra and bonding studies of halogeno-, dimethylamino-, and methyl-boranes, BX3 and BX2Y,
Faraday Discuss. Chem. Soc., 1972, 54, 70. [all data]
Hildenbrand, Theard, et al., 1963
Hildenbrand, D.L.; Theard, L.P.; Saul, A.M.,
Transpiration and mass spectrometric studies of equilibria involving BOF(g) and (BOF)3(g),
J. Chem. Phys., 1963, 39, 1973. [all data]
Marriott and Craggs, 1957
Marriott, J.; Craggs, J.D.,
Ionization and dissociation by electron impact. II. Boron trifluoride and boron trichloride,
J. Electron. Control, 1957, 3, 194. [all data]
Law and Margrave, 1956
Law, R.W.; Margrave, J.L.,
Mass spectrometer appearance potentials for positive ion fragments from BF3, B(CH3)3, B(C2H5)3, B(OCH3)3, and HB(OCH3)2,
J. Chem. Phys., 1956, 25, 1086. [all data]
Farber, Srivastava, et al., 1982
Farber, M.; Srivastava, R.D.; Moyer, J.W.,
Mass spectrometric determination of the thermodynamics of potassium hydroxide and minor potassium-containing species required in magnetohydrodynamic power systems,
J. Chem. Thermodyn., 1982, 14, 1103. [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]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity IE (evaluated) Recommended ionization energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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