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Borane


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.

Quantity Value Units Method Reference Comment
Deltafgas25.500kcal/molReviewChase, 1998Data last reviewed in December, 1964
Quantity Value Units Method Reference Comment
gas,1 bar44.904cal/mol*KReviewChase, 1998Data last reviewed in December, 1964

Gas Phase Heat Capacity (Shomate Equation)

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

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View table.

Temperature (K) 298. - 1300.1300. - 6000.
A 5.47003216.42440
B 8.0114611.751110
C 2.451461-0.329660
D -2.0351700.021596
E 0.057029-4.426580
F 23.6871011.85240
G 49.3657054.14491
H 25.5000025.50000
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1964 Data last reviewed in December, 1964

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

Hydrogen anion + Borane = (Hydrogen anion bullet Borane)

By formula: H- + H3B = (H- bullet H3B)

Quantity Value Units Method Reference Comment
Deltar74.2 ± 2.8kcal/molEndoWorkman and Squires, 1988gas phase; From Endo threshold for hydride transfer to CO2
Deltar77.0 ± 2.0kcal/molTherKrivtsov, Titova, et al., 1977gas phase; value altered from reference due to conversion from electron convention to ion convention
Deltar81.60kcal/molTherAltschuller, 1955gas phase

H4B- + Borane = (H4B- bullet Borane)

By formula: H4B- + H3B = (H4B- bullet H3B)

Quantity Value Units Method Reference Comment
Deltar39.4 ± 1.2kcal/molCIDTWorkman and Squires, 1988gas phase; CID threshold in Ar target

CN- + Borane = (CN- bullet Borane)

By formula: CN- + H3B = (CN- bullet H3B)

Quantity Value Units Method Reference Comment
Deltar61.1 ± 2.1kcal/molEndoWorkman and Squires, 1988gas phase

H2B- + Hydrogen cation = Borane

By formula: H2B- + H+ = H3B

Quantity Value Units Method Reference Comment
Deltar411.80kcal/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 BH3+ (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
Deltar411.80kcal/molN/ABartmess and Hinde, 2005gas phase; B

Ion clustering 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. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

CN- + Borane = (CN- bullet Borane)

By formula: CN- + H3B = (CN- bullet H3B)

Quantity Value Units Method Reference Comment
Deltar61.1 ± 2.1kcal/molEndoWorkman and Squires, 1988gas phase

Hydrogen anion + Borane = (Hydrogen anion bullet Borane)

By formula: H- + H3B = (H- bullet H3B)

Quantity Value Units Method Reference Comment
Deltar74.2 ± 2.8kcal/molEndoWorkman and Squires, 1988gas phase; From Endo threshold for hydride transfer to CO2
Deltar77.0 ± 2.0kcal/molTherKrivtsov, Titova, et al., 1977gas phase; value altered from reference due to conversion from electron convention to ion convention
Deltar81.60kcal/molTherAltschuller, 1955gas phase

H4B- + Borane = (H4B- bullet Borane)

By formula: H4B- + H3B = (H4B- bullet H3B)

Quantity Value Units Method Reference Comment
Deltar39.4 ± 1.2kcal/molCIDTWorkman and Squires, 1988gas phase; CID threshold in Ar target

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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


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, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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]

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 «nu»3 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, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, References