Dibromoborane
- Formula: BBr2H
- Molecular weight: 171.627
- IUPAC Standard InChI: InChI=1S/BBr2H/c2-1-3/h1H
- IUPAC Standard InChIKey: WVJGKRMLCSNRKG-UHFFFAOYSA-N
- CAS Registry Number: 13709-65-4
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, 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 | -25.000 | kcal/mol | Review | Chase, 1998 | Data last reviewed in March, 1966 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 69.852 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in March, 1966 |
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. - 1200. | 1200. - 6000. |
|---|---|---|
| A | 9.967642 | 18.88680 |
| B | 16.61700 | 0.517358 |
| C | -12.15350 | -0.099997 |
| D | 3.418081 | 0.006689 |
| E | -0.107765 | -1.663331 |
| F | -28.97180 | -34.55399 |
| G | 76.86319 | 87.30261 |
| H | -25.00000 | -25.00000 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in March, 1966 | Data last reviewed in March, 1966 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.92 ± 0.02 | PE | Frost, Kirby, et al., 1981 | LLK |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry data, 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: Marilyn E. Jacox
State: X
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| a1 | 1 | BH stretch | 2622.4 | gas | IR | Lynds and Bass, 1964 Lynds, Wolfram, et al., 1965 Wason and Porter, 1965 | |
| 2 | BBr2 s-stretch | 595 | gas | IR | Lynds, Wolfram, et al., 1965 | ||
| b1 | 4 | OPLA | 731 | gas | IR | Lynds, Wolfram, et al., 1965 | |
| b2 | 5 | BBr2 a-stretch | 1036 | gas | IR | Lynds, Wolfram, et al., 1965 Wason and Porter, 1965 | |
| 5 | BBr2 a-stretch | 1032 | Ar | IR | Miller and Andrews, 1980 | ||
| 6 | HBBr deform. | 772 | gas | IR | Lynds, Wolfram, et al., 1965 Wason and Porter, 1965 | ||
| 6 | HBBr deform. | 768 | Ar | IR | Miller and Andrews, 1980 | ||
Additional references: Jacox, 1998, page 238
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, 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]
Frost, Kirby, et al., 1981
Frost, D.C.; Kirby, C.; McDowell, C.A.; Westwood, N.P.C.,
Preparation and HeI photoelectron spectra of the dihaloboranes, HBX2 (X = Cl and Br),
J. Am. Chem. Soc., 1981, 103, 4428. [all data]
Lynds and Bass, 1964
Lynds, L.; Bass, C.D.,
Infrared Spectrum of ν2 of Dibromoborane and Dibromoborane-d,
J. Chem. Phys., 1964, 41, 10, 3165, https://doi.org/10.1063/1.1725691
. [all data]
Lynds, Wolfram, et al., 1965
Lynds, L.; Wolfram, T.; Bass, C.D.,
Infrared Spectrum and Vibrational Analysis of Dibromoborane and Dibromoborane-d,
J. Chem. Phys., 1965, 43, 11, 3775, https://doi.org/10.1063/1.1696562
. [all data]
Wason and Porter, 1965
Wason, S.K.; Porter, R.F.,
None,
J. Phys. Chem., 1965, 69, 7, 2461, https://doi.org/10.1021/j100891a502
. [all data]
Miller and Andrews, 1980
Miller, J.H.; Andrews, L.,
Matrix photoionization and radiolysis of boron trihalides. Infrared and ultraviolet spectra of boron trichloride(1+) and boron tribromide(1+) and infrared spectra of boron dichloride and boron dibromide,
J. Am. Chem. Soc., 1980, 102, 15, 4900, https://doi.org/10.1021/ja00535a011
. [all data]
Jacox, 1998
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules: supplement A,
J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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