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
  The 3d structure may be viewed using Java or Javascript.
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Gas phase ion energetics data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data
  • Ion clustering data
• Data at other public NIST sites:
  • Computational Chemistry Comparison and Benchmark Database
  • Gas Phase Kinetics Database
• Options:
  • Switch to calorie-based units

Gas phase thermochemistry data

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, 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.

View plot Requires a JavaScript / HTML 5 canvas capable browser.

View table.

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, References, Notes

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
LL - Sharon G. Lias and Joel F. Liebman
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to H₃B⁺ (ion structure unspecified)

Electron affinity determinations

Ionization energy determinations

Appearance energy determinations

De-protonation reactions

H₂B^- +  =

By formula: H₂B^- + H⁺ = H₃B

Vibrational and/or electronic energy levels

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: Marilyn E. Jacox

State:   X

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

References

Go To: Top, Gas phase 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.

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

Wickham-Jones, Moran, et al., 1989
Wickham-Jones, C.T.; Moran, S.; Ellison, G.B., Photoelectron Spectroscopy of BH₃^-, J. Chem. Phys., 1989, 90, 2, 795, https://doi.org/10.1063/1.456104 . [all data]

Ruscic, Mayhew, et al., 1988
Ruscic, B.; Mayhew, C.A.; Berkowitz, J., Photoionization studies of (BH₃)_n(n=1,2), J. Chem. Phys., 1988, 88, 5580. [all data]

Herstad, Pressley, et al., 1970
Herstad, O.; Pressley, G.A., Jr.; Stafford, F.E., Mass spectrometric investigation of the fragmentation pattern and the pyrolysis of borane carbonyl, J. Phys. Chem., 1970, 74, 874. [all data]

Steck, Pressley, et al., 1969
Steck, S.J.; Pressley, G.A., Jr.; Stafford, F.E., Mass spectrometric investigation of the high-temperature reaction of hydrogen with boron carbide, J. Phys. Chem., 1969, 73, 1000. [all data]

Ganguli and McGee, 1969
Ganguli, P.S.; McGee, H.A., Jr., Molecular energetics of borane carbonyl and the symmetric dissociation energy of diborane, J. Chem. Phys., 1969, 50, 4658. [all data]

Wilson and McGee, 1967
Wilson, J.H.; McGee, H.A., Jr., Mass-spectrometric studies of the synthesis, energetics, and cryogenic stability of the lower boron hydrides, J. Chem. Phys., 1967, 46, 1444. [all data]

Baylis, Pressley, et al., 1966
Baylis, A.B.; Pressley, G.A., Jr.; Stafford, F.E., Mass spectrometric investigation of the pyrolysis of boranes. IV. Diborane, J. Am. Chem. Soc., 1966, 88, 2428. [all data]

Fehlner and Koski, 1964
Fehlner, T.P.; Koski, W.S., Direct detection of the borane molecule and the boryl radical by mass spectrometry, J. Am. Chem. Soc., 1964, 86, 2733. [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

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References

• Symbols used in this document:
  

  AE	Appearance energy
  EA	Electron affinity
  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
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
• Customer support for NIST Standard Reference Data products.