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
Δfgas25.500kcal/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. to 1300.1300. to 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 • Borane)

By formula: H- + H3B = (H- • H3B)

Quantity Value Units Method Reference Comment
Δr74.2 ± 2.8kcal/molEndoWorkman and Squires, 1988gas phase; From Endo threshold for hydride transfer to CO2
Δr77.0 ± 2.0kcal/molTherKrivtsov, Titova, et al., 1977gas phase; value altered from reference due to conversion from electron convention to ion convention
Δr81.60kcal/molTherAltschuller, 1955gas phase

H4B- + Borane = (H4B- • Borane)

By formula: H4B- + H3B = (H4B- • H3B)

Quantity Value Units Method Reference Comment
Δr39.4 ± 1.2kcal/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
Δr61.1 ± 2.1kcal/molEndoWorkman and Squires, 1988gas phase

H2B- + Hydrogen cation = Borane

By formula: H2B- + H+ = H3B

Quantity Value Units Method Reference Comment
Δr411.80kcal/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 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
Δr411.80kcal/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- • Borane)

By formula: CN- + H3B = (CN- • H3B)

Quantity Value Units Method Reference Comment
Δr61.1 ± 2.1kcal/molEndoWorkman and Squires, 1988gas phase

Hydrogen anion + Borane = (Hydrogen anion • Borane)

By formula: H- + H3B = (H- • H3B)

Quantity Value Units Method Reference Comment
Δr74.2 ± 2.8kcal/molEndoWorkman and Squires, 1988gas phase; From Endo threshold for hydride transfer to CO2
Δr77.0 ± 2.0kcal/molTherKrivtsov, Titova, et al., 1977gas phase; value altered from reference due to conversion from electron convention to ion convention
Δr81.60kcal/molTherAltschuller, 1955gas phase

H4B- + Borane = (H4B- • Borane)

By formula: H4B- + H3B = (H4B- • H3B)

Quantity Value Units Method Reference Comment
Δr39.4 ± 1.2kcal/molCIDTWorkman and Squires, 1988gas phase; CID threshold in Ar target

References

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


Notes

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