Borane
- Formula: BH3
- Molecular weight: 13.835
- IUPAC Standard InChIKey: UORVGPXVDQYIDP-UHFFFAOYSA-N
- CAS Registry Number: 13283-31-3
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, 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.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 106.69 | kJ/mol | Review | Chase, 1998 | Data last reviewed in December, 1964 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 187.88 | J/mol*K | Review | Chase, 1998 | Data 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 (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 1300. | 1300. to 6000. |
---|---|---|
A | 22.88661 | 68.71969 |
B | 33.51995 | 7.326644 |
C | 10.25691 | -1.379298 |
D | -8.515151 | 0.090359 |
E | 0.238611 | -18.52081 |
F | 99.10683 | 49.59044 |
G | 206.5461 | 226.5423 |
H | 106.6920 | 106.6920 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in December, 1964 | Data last reviewed in December, 1964 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry 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 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 ± 0.015 | LPES | Wickham-Jones, Moran, et al., 1989 | B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
12.026 ± 0.024 | PI | Ruscic, Mayhew, et al., 1988 | LL |
14. ± 2. | EI | Herstad, Pressley, et al., 1970 | RDSH |
11.5 ± 0.5 | EI | Steck, Pressley, et al., 1969 | RDSH |
12.2 ± 0.1 | EI | Ganguli and McGee, 1969 | RDSH |
12.3 ± 0.1 | EI | Wilson and McGee, 1967 | RDSH |
11. | EI | Baylis, Pressley, et al., 1966 | RDSH |
11.4 ± 0.2 | EI | Fehlner and Koski, 1964 | RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
BH+ | ≤13.372 ± 0.015 | H2 | PI | Ruscic, Mayhew, et al., 1988 | LL |
BH+ | 13.7 ± 1.0 | H2? | EI | Steck, Pressley, et al., 1969 | RDSH |
BH+ | 13.66 ± 0.02 | H2? | EI | Wilson and McGee, 1967 | RDSH |
BH2+ | ≤12.819 ± 0.020 | H | PI | Ruscic, Mayhew, et al., 1988 | LL |
BH2+ | 12.3 ± 0.5 | H | EI | Steck, Pressley, et al., 1969 | RDSH |
BH2+ | 12.95 | H | EI | Wilson and McGee, 1967 | RDSH |
De-protonation reactions
H2B- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1723.0 | kJ/mol | N/A | Bartmess and Hinde, 2005 | gas phase; B |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics 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]
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]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, 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
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