Borane(1)
- Formula: BH
- Molecular weight: 11.819
- IUPAC Standard InChI: InChI=1S/BH/h1H
- IUPAC Standard InChIKey: UWBOAQKPEXKXSU-UHFFFAOYSA-N
- CAS Registry Number: 13766-26-2
- 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 | 105.80 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1964 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 41.073 | cal/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 (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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| Temperature (K) | 298. to 1000. | 1000. to 6000. |
|---|---|---|
| A | 7.390051 | 8.028220 |
| B | -2.999240 | 0.651697 |
| C | 6.237821 | -0.103473 |
| D | -2.704200 | 0.007191 |
| E | -0.000313 | -0.675333 |
| F | 103.6790 | 101.9750 |
| G | 50.65540 | 48.93251 |
| H | 105.8000 | 105.8000 |
| 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 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 ± 0.05 | eV | N/A | N/A | L |
Electron affinity determinations
| EA (eV) | Reference | Comment |
|---|---|---|
| 0.30 ± 0.25 | Reid, 1993 | B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.77 | EVAL | Huber and Herzberg, 1979 | LLK |
| 9.8 ± 0.5 | EI | Steck, Pressley, et al., 1969 | RDSH |
| 9.77 ± 0.05 | S | Bauer, Herzberg, et al., 1964 | RDSH |
De-protonation reactions
B- + =
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 387.7 ± 2.1 | kcal/mol | D-EA | Scheer, Bilodeau, et al., 1998 | gas phase; tunable IR laser; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 381.0 ± 2.2 | kcal/mol | H-TS | Scheer, Bilodeau, et al., 1998 | gas phase; tunable IR laser; 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]
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
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity IE (evaluated) Recommended ionization energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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