Borane

• Formula: BH₃
• Molecular weight: 13.835
• IUPAC Standard InChI: InChI=1S/BH3/h1H3 Copy

  
• IUPAC Standard InChIKey: UORVGPXVDQYIDP-UHFFFAOYSA-N Copy
• CAS Registry Number: 13283-31-3
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Information on this page:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Other data available:
  • Gas phase ion energetics data
  • Ion clustering data
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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.

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 (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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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

 +  = ( • )

By formula: H^- + H₃B = (H^- • H₃B)

H₄B^- +  = (H₄B^- • )

By formula: H₄B^- + H₃B = (H₄B^- • H₃B)

CN^- +  = (CN^- • )

By formula: CN^- + H₃B = (CN^- • H₃B)

H₂B^- +  =

By formula: H₂B^- + H⁺ = H₃B

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

Additional references: Jacox, 1994, page 124; Jacox, 1998, page 212

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Workman and Squires, 1988
Workman, D.B.; Squires, R.R., Hydride Binding Energies of Boranes, Inorg. Chem., 1988, 27, 11, 1846, https://doi.org/10.1021/ic00284a003 . [all data]

Krivtsov, Titova, et al., 1977
Krivtsov, N.V.; Titova, K.V.; Rosolovskii, V.Ya., Thermochemical study of complex borates, Russ. J. Inorg. Chem., 1977, 22, 374. [all data]

Altschuller, 1955
Altschuller, A.P., Lattice Energies and Related Thermodynamic Properties of the Alkali Metal Borohydrides and of the Borohydride Ion, J. Am. Chem. Soc., 1955, 77, 21, 5455, https://doi.org/10.1021/ja01626a001 . [all data]

Bartmess and Hinde, 2005
Bartmess, J.E.; Hinde, R.J., The Gas Phase Acidities of the Elemental Hydrides are Functions of Bond Lengths and Electronegativity, Can. J. Chem., 2005, 83, 11, 2005-2012, https://doi.org/10.1139/v05-218 . [all data]

Kawaguchi, Butler, et al., 1987
Kawaguchi, K.; Butler, J.E.; Yamada, C.; Bauer, S.H.; Minowa, T.; Kanamori, H.; Hirota, E., Observation of the gas-phase infrared spectrum of BH3, J. Chem. Phys., 1987, 87, 5, 2438, https://doi.org/10.1063/1.453135 . [all data]

Kawaguchi, 1994
Kawaguchi, K., Fourier transform infrared spectroscopy of the BH, Can. J. Phys., 1994, 72, 11-12, 925, https://doi.org/10.1139/p94-122 . [all data]

Kaldor and Porter, 1971
Kaldor, A.; Porter, R.F., Infrared spectra of the pyrolysis products of borane carbonyl in an argon matrix, J. Am. Chem. Soc., 1971, 93, 9, 2140, https://doi.org/10.1021/ja00738a008 . [all data]

Tague and Andrews, 1994
Tague, T.J., Jr.; Andrews, L., Reactions of Pulsed-Laser Evaporated Boron Atoms with Hydrogen. Infrared Spectra of Boron Hydride Intermediate Species in Solid Argon, J. Am. Chem. Soc., 1994, 116, 11, 4970, https://doi.org/10.1021/ja00090a048 . [all data]

Kawaguchi, 1992
Kawaguchi, K., Fourier transform infrared spectroscopy of the BH3 ν3 band, J. Chem. Phys., 1992, 96, 5, 3411, https://doi.org/10.1063/1.461942 . [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]

Jacox, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [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
  ΔrH°	Enthalpy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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