Dibromoborane
- Formula: BBr2
- Molecular weight: 170.619
- IUPAC Standard InChIKey: WVJGKRMLCSNRKG-UHFFFAOYSA-N
- CAS Registry Number: 66581-66-6
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, 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 | 15.00 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1964 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 70.406 | 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 6000. |
---|---|
A | 13.31690 |
B | 0.498939 |
C | -0.134062 |
D | 0.011380 |
E | -0.182593 |
F | 10.39650 |
G | 85.35239 |
H | 15.00000 |
Reference | Chase, 1998 |
Comment | Data last reviewed in December, 1964 |
Vibrational and/or electronic energy levels
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 by: Marilyn E. Jacox
State: ?
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
gas | 240 | 390 | Biehl, Smith, et al., 1996 | ||||
State: ?
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
Tx = 15900 | Ar | Moroz and Sweany, 1992 | |||||
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a1 | 1 | Sym. stretch | 551.0 | w | Ar | IR | Moroz and Sweany, 1992 |
b2 | 3 | Asym. stretch | 833.4 | s | Ar | IR | Miller and Andrews, 1980 Moroz and Sweany, 1992 Hassanzadeh and Andrews, 1993 |
Additional references: Jacox, 1994, page 89; Jacox, 1998, page 192
Notes
w | Weak |
s | Strong |
x | Energy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state. |
References
Go To: Top, Gas phase thermochemistry 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]
Biehl, Smith, et al., 1996
Biehl, H.; Smith, D.M.; Tuckett, R.P.; Yoxall, K.R.; Baumgartel, H.; Jochims, H.W.; Rokland, U.,
Mol. Phys., 1996, 87, 1199. [all data]
Moroz and Sweany, 1992
Moroz, A.; Sweany, R.L.,
Photolysis of argon matrixes containing tribromoboron and dihydrogen: synthesis of hydroboranes via dibromoboron,
Inorg. Chem., 1992, 31, 25, 5236, https://doi.org/10.1021/ic00051a015
. [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]
Hassanzadeh and Andrews, 1993
Hassanzadeh, P.; Andrews, L.,
Reaction of halogens with laser-ablated boron: infrared spectra of BXn (X = F, Cl, Br, I; n = 1, 2, 3) in solid argon,
J. Phys. Chem., 1993, 97, 19, 4910, https://doi.org/10.1021/j100121a008
. [all data]
Jacox, 1994
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [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, 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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