Boron monobromide
- Formula: BBr
- Molecular weight: 90.715
- IUPAC Standard InChI: InChI=1S/BBr/c1-2
- IUPAC Standard InChIKey: YXCOLLAIMXVWPV-UHFFFAOYSA-N
- CAS Registry Number: 19961-29-6
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics data, Constants of diatomic molecules, NIST Free Links, 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 | 55.999 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1964 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 53.767 | 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 | 8.694231 |
| B | 0.304177 |
| C | -0.056425 |
| D | 0.004797 |
| E | -0.087201 |
| F | 53.10261 |
| G | 63.71011 |
| H | 56.00010 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in December, 1964 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Constants of diatomic molecules, NIST Free Links, 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: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to BBr+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 10.7 ± 0.2 | EI | Koski, Kaufman, et al., 1959 |
Constants of diatomic molecules
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Klaus P. Huber and Gerhard H. Herzberg
Data collected through March, 1976
| Symbol | Meaning |
|---|---|
| State | electronic state and / or symmetry symbol |
| Te | minimum electronic energy (cm-1) |
| ωe | vibrational constant – first term (cm-1) |
| ωexe | vibrational constant – second term (cm-1) |
| ωeye | vibrational constant – third term (cm-1) |
| Be | rotational constant in equilibrium position (cm-1) |
| αe | rotational constant – first term (cm-1) |
| γe | rotation-vibration interaction constant (cm-1) |
| De | centrifugal distortion constant (cm-1) |
| βe | rotational constant – first term, centrifugal force (cm-1) |
| re | internuclear distance (Å) |
| Trans. | observed transition(s) corresponding to electronic state |
| ν00 | position of 0-0 band (units noted in table) |
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| A 1Π | 33935.3 | 637.63 HQ | 17.58 1 2 | 1.10 | [0.496] 3 | (0.009) | [0.00000128] | 1.87 | A ↔ X 4 VR | 33908.6 HQ | ||
| ↳missing citation; missing citation; Wentink and Spindler, 1970 | ||||||||||||
| a 3Π2 | ||||||||||||
| a 3Π1 | 18851.48 | 757.10 HQ | 4.81 | -0.004 | 0.5083 3 | 0.0036 | [9.3E-07] | 1.853 | a → X V | 18887.55 Z | ||
| ↳missing citation; missing citation | ||||||||||||
| a 3Π0+ | 18673.83 | 759.80 | 4.80 | 0.5062 3 | 0.0036 | a → X | 18711.25 Z | |||||
| ↳missing citation; missing citation | ||||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
| X 1Σ+ | 0 | 684.31 HQ | 3.52 | 0.4894 3 | 0.0035 | 1.0E-06 | 1.8882 | |||||
Notes
| 1 | ωeze = -0.250. This state may have a potential hump of ~0.13 eV; see Barrow, 1960. |
| 2 | Predissociation above v = 4 Miescher, 1935. |
| 3 | The rotational constants refer to the normal 79,81Br isotopic mixture. |
| 4 | Radiative lifetime τ(v=0,1)= 26 ns Lutz and Hesser, 1968, corresponding to an absorption value of f00= 0.10. |
| 5 | From the predissociation in A 1Π; see Barrow, 1960. |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, NIST Free Links, 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]
Koski, Kaufman, et al., 1959
Koski, W.S.; Kaufman, J.J.; Pachucki, C.F.,
A mass spectroscopic appearance potential study of some boron trihalides,
J. Am. Chem. Soc., 1959, 81, 1326. [all data]
Wentink and Spindler, 1970
Wentink, T., Jr.; Spindler, R.J., Jr.,
Franck-Condon Factors and r-centroids for No+, CP, SiF, BF, BCl, and BBr,
J. Quant. Spectrosc. Radiat. Transfer, 1970, 10, 609. [all data]
Barrow, 1960
Barrow, R.F.,
Dissociation energies of the gaseous monohalides of boron, aluminium, gallium, indium, and thallium,
Trans. Faraday Soc., 1960, 56, 952. [all data]
Miescher, 1935
Miescher, E.,
Bandenspektren von bor- und aluminium-halogeniden,
Helv. Phys. Acta, 1935, 8, 279. [all data]
Lutz and Hesser, 1968
Lutz, B.L.; Hesser, J.E.,
Radiative lifetimes of BBr and of ultraviolet emissions in electron-beam excited BBr3 gas,
J. Chem. Phys., 1968, 48, 3042. [all data]
Notes
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- 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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