Borane(1)


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
Δfgas105.80kcal/molReviewChase, 1998Data last reviewed in December, 1964
Quantity Value Units Method Reference Comment
gas,1 bar41.073cal/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 1000.1000. to 6000.
A 7.3900518.028220
B -2.9992400.651697
C 6.237821-0.103473
D -2.7042000.007191
E -0.000313-0.675333
F 103.6790101.9750
G 50.6554048.93251
H 105.8000105.8000
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1964 Data last reviewed in December, 1964

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 evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to HB+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)9.77 ± 0.05eVN/AN/AL

Electron affinity determinations

EA (eV) Reference Comment
0.30 ± 0.25Reid, 1993B

Ionization energy determinations

IE (eV) Method Reference Comment
9.77EVALHuber and Herzberg, 1979LLK
9.8 ± 0.5EISteck, Pressley, et al., 1969RDSH
9.77 ± 0.05SBauer, Herzberg, et al., 1964RDSH

De-protonation reactions

B- + Hydrogen cation = Borane(1)

By formula: B- + H+ = HB

Quantity Value Units Method Reference Comment
Δr387.7 ± 2.1kcal/molD-EAScheer, Bilodeau, et al., 1998gas phase; tunable IR laser; B
Quantity Value Units Method Reference Comment
Δr381.0 ± 2.2kcal/molH-TSScheer, Bilodeau, et al., 1998gas phase; tunable IR laser; B

References

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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]

Reid, 1993
Reid, C.J., Electron Affinities of BH, B2, BC, and BN molecules determined using Charge Inversion Spectrometry, Int. J. Mass Spectrom. Ion Proc., 1993, 127, 147, https://doi.org/10.1016/0168-1176(93)87087-9 . [all data]

Huber and Herzberg, 1979
Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules,, Van Nostrand Reinhold Co., 1979, ,1. [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]

Bauer, Herzberg, et al., 1964
Bauer, S.H.; Herzberg, G.; Johns, J.W.C., The absorption spectrum of BH and BD in the vacuum ultraviolet, J. Mol. Spectry., 1964, 13, 256. [all data]

Scheer, Bilodeau, et al., 1998
Scheer, M.; Bilodeau, R.C.; Haugen, H.K., Negative ion of boron: An experimental study of the P-3 ground state, Phys. Rev. Lett., 1998, 80, 12, 2562-2565, https://doi.org/10.1103/PhysRevLett.80.2562 . [all data]


Notes

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