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, 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 | 33.800 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1964 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 50.954 | 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 | 8.493511 |
| B | 0.469278 |
| C | -0.100593 |
| D | 0.008524 |
| E | -0.099527 |
| F | 30.91420 |
| G | 60.53609 |
| H | 33.80000 |
| 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 as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
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 BCl+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.2 | DER | Lias, Bartmess, et al., 1988 | LL |
| 12. ± 1. | EI | Srivastava and Farber, 1971 | LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| B+ | 13.6 ± 0.2 | Cl | EI | Marriott and Craggs, 1957 | RDSH |
Constants of diatomic molecules
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, 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: 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, 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]
Lias, Bartmess, et al., 1988
Lias, S.G.; Bartmess, J.E.; Liebman, J.F.; Holmes, J.L.; Levin, R.D.; Mallard, W.G.,
Gas-phase ion and neutral thermochemistry,
J. Phys. Chem. Ref. Data, Suppl. 1, 1988, 17, 1-861. [all data]
Srivastava and Farber, 1971
Srivastava, R.D.; Farber, M.,
Thermodynamic properties of the B-Cl-F system from mass spectrometer investigations,
J. Chem. Soc. Faraday Trans., 1971, 67, 2298. [all data]
Marriott and Craggs, 1957
Marriott, J.; Craggs, J.D.,
Ionization and dissociation by electron impact. II. Boron trifluoride and boron trichloride,
J. Electron. Control, 1957, 3, 194. [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
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- Symbols used in this document:
AE Appearance energy 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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