Boron trifluoride

• Formula: BF₃
• Molecular weight: 67.806
• IUPAC Standard InChI: InChI=1S/BF3/c2-1(3)4 Copy

  
• IUPAC Standard InChIKey: WTEOIRVLGSZEPR-UHFFFAOYSA-N Copy
• 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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• Information on this page:
  • Gas phase thermochemistry data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Phase change data
  • Reaction thermochemistry data
  • Ion clustering data
  • IR Spectrum
• Data at other public NIST sites:
  • Electron-Impact Ionization Cross Sections (on physics web site)
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Gas phase thermochemistry data

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Gas Phase Heat Capacity (Shomate Equation)

C_p° = 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
    C_p = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Mass spectrum (electron ionization), 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)

Electron affinity determinations

Ionization energy determinations

Appearance energy determinations

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, 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.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A., CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [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]

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, Gas phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  AE	Appearance energy
  EA	Electron affinity
  IE (evaluated)	Recommended ionization energy
  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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