Borane


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

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Individual Reactions

Hydrogen anion + Borane = (Hydrogen anion • Borane)

By formula: H- + H3B = (H- • H3B)

Quantity Value Units Method Reference Comment
Δr310. ± 12.kJ/molEndoWorkman and Squires, 1988gas phase; From Endo threshold for hydride transfer to CO2
Δr322. ± 8.4kJ/molTherKrivtsov, Titova, et al., 1977gas phase; value altered from reference due to conversion from electron convention to ion convention
Δr341.4kJ/molTherAltschuller, 1955gas phase

H4B- + Borane = (H4B- • Borane)

By formula: H4B- + H3B = (H4B- • H3B)

Quantity Value Units Method Reference Comment
Δr165. ± 5.0kJ/molCIDTWorkman and Squires, 1988gas phase; CID threshold in Ar target

CN- + Borane = (CN- • Borane)

By formula: CN- + H3B = (CN- • H3B)

Quantity Value Units Method Reference Comment
Δr256. ± 8.8kJ/molEndoWorkman and Squires, 1988gas phase

H2B- + Hydrogen cation = Borane

By formula: H2B- + H+ = H3B

Quantity Value Units Method Reference Comment
Δr1723.0kJ/molN/ABartmess and Hinde, 2005gas phase

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 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

EA (eV) Method Reference Comment
0.038 ± 0.015LPESWickham-Jones, Moran, et al., 1989B

Ionization energy determinations

IE (eV) Method Reference Comment
12.026 ± 0.024PIRuscic, Mayhew, et al., 1988LL
14. ± 2.EIHerstad, Pressley, et al., 1970RDSH
11.5 ± 0.5EISteck, Pressley, et al., 1969RDSH
12.2 ± 0.1EIGanguli and McGee, 1969RDSH
12.3 ± 0.1EIWilson and McGee, 1967RDSH
11.EIBaylis, Pressley, et al., 1966RDSH
11.4 ± 0.2EIFehlner and Koski, 1964RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
BH+≤13.372 ± 0.015H2PIRuscic, Mayhew, et al., 1988LL
BH+13.7 ± 1.0H2?EISteck, Pressley, et al., 1969RDSH
BH+13.66 ± 0.02H2?EIWilson and McGee, 1967RDSH
BH2+≤12.819 ± 0.020HPIRuscic, Mayhew, et al., 1988LL
BH2+12.3 ± 0.5HEISteck, Pressley, et al., 1969RDSH
BH2+12.95HEIWilson and McGee, 1967RDSH

De-protonation reactions

H2B- + Hydrogen cation = Borane

By formula: H2B- + H+ = H3B

Quantity Value Units Method Reference Comment
Δr1723.0kJ/molN/ABartmess and Hinde, 2005gas phase; B

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

a2 2 OPLA 1147.50 gas DL IR Kawaguchi, Butler, et al., 1987
Kawaguchi, 1994
2 OPLA 1129.2 Ar IR Kaldor and Porter, 1971
Tague and Andrews, 1994
e' 3 BH3 stretch 2601.57 gas IR Kawaguchi, 1992
3 BH3 stretch 2587.3 Ar IR Tague and Andrews, 1994
4 Deformation 1196.7 gas IR Kawaguchi, 1994

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


References

Go To: Top, 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.

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]

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]

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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