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 ion energetics data
Go To: Top, 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 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° | 411.80 | kcal/mol | N/A | Bartmess and Hinde, 2005 | gas phase; B |
Ion clustering 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.
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
By formula: CN- + H3B = (CN- • H3B)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 61.1 ± 2.1 | kcal/mol | Endo | Workman and Squires, 1988 | gas phase |
By formula: H- + H3B = (H- • H3B)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 74.2 ± 2.8 | kcal/mol | Endo | Workman and Squires, 1988 | gas phase; From Endo threshold for hydride transfer to CO2 |
ΔrH° | 77.0 ± 2.0 | kcal/mol | Ther | Krivtsov, Titova, et al., 1977 | gas phase; value altered from reference due to conversion from electron convention to ion convention |
ΔrH° | 81.60 | kcal/mol | Ther | Altschuller, 1955 | gas phase |
By formula: H4B- + H3B = (H4B- • H3B)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 39.4 ± 1.2 | kcal/mol | CIDT | Workman and Squires, 1988 | gas phase; CID threshold in Ar target |
References
Go To: Top, 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.
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]
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]
Notes
Go To: Top, Gas phase ion energetics data, Ion clustering data, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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