Boron monochloride
- Formula: BCl
- Molecular weight: 46.264
- IUPAC Standard InChI: InChI=1S/BCl/c1-2
- IUPAC Standard InChIKey: GKCOJTRGYAUVSR-UHFFFAOYSA-N
- CAS Registry Number: 20583-55-5
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, Constants of diatomic molecules, 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 | 141.42 | kJ/mol | Review | Chase, 1998 | Data last reviewed in December, 1964 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 213.19 | J/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 (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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| Temperature (K) | 298. to 6000. |
|---|---|
| A | 35.53685 |
| B | 1.963460 |
| C | -0.420881 |
| D | 0.035666 |
| E | -0.416421 |
| F | 129.3450 |
| G | 253.2830 |
| H | 141.4192 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in December, 1964 |
Constants of diatomic molecules
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: 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 | 36750.92 | 849.04 HQ | 11.37 1 | -0.100 | 0.7054 2 | 0.00820 3 | -0.00050 | 1.60E-06 4 | 0.00000027 | 1.6894 | A ↔ X 5 VR | 36754.30 HQ |
| ↳missing citation | ||||||||||||
| a 3Π1 | 20200 | 911 | 5.7 | 0.6986 | 0.0047 | 1.698 | a → X V | 20235.70 Z | ||||
| ↳Lebreton, Marsigny, et al., 1971 | ||||||||||||
| X 1Σ+ | 0 | 839.12 HQ | 5.11 | 0.6838 2 | 0.00646 | 0.00000172 | 0.00000007 | 1.7159 | ||||
Notes
| 1 | ωeze = -0.0271. |
| 2 | RKR potential curve Gelebart and Johannin-Gilles, 1968. |
| 3 | missing note |
| 4 | Extrapolation of A 1Π; see Barrow, 1960. |
| 5 | Radiative lifetime τ(v=0,1,2)= 19.1 ns Hesser, 1968; f00(A←X) = 0.11. |
| 6 | βe= 0.7E-7 |
References
Go To: Top, Gas phase thermochemistry data, Constants of diatomic molecules, 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]
Lebreton, Marsigny, et al., 1971
Lebreton, J.; Marsigny, L.; Ferran, J.,
Caracterisation d'une nouvelle transition de la molecule 11B35Cl (systeme 3Π1→X1Σ+),
C.R. Acad. Sci. Paris, Ser. C, 1971, 272, 1094. [all data]
Gelebart and Johannin-Gilles, 1968
Gelebart, F.; Johannin-Gilles, A.,
Les courbes d'energie potentielle des etats 1Π et 1Σ+ de la molecule BCl,
C.R. Acad. Sci. Paris, Ser. B, 1968, 267, 408. [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]
Hesser, 1968
Hesser, J.E.,
Absolute Transition Probabilities in Ultraviolet Molecular Spectra,
J. Chem. Phys., 1968, 48, 6, 2518, https://doi.org/10.1063/1.1669477
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Constants of diatomic molecules, 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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