bromine chloride
- Formula: BrCl
- Molecular weight: 115.357
- IUPAC Standard InChI: InChI=1S/BrCl/c1-2
- IUPAC Standard InChIKey: CODNYICXDISAEA-UHFFFAOYSA-N
- CAS Registry Number: 13863-41-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Bromine monochloride
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Reaction thermochemistry data
Go To: Top, 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 as indicated in comments:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
By formula: BrCl2- + BrCl = (BrCl2- • BrCl)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | <111.00 | kcal/mol | PDis | Lee, Smith, et al., 1979 | gas phase; Computations put dHaff ca. 32 kcal/mol; B |
| ΔrH° | 38.10 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeBO2-(s); ; ΔS(EA)=-9.1; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 26.60 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeBO2-(s); ; ΔS(EA)=-9.1; B |
+
=
+
By formula: BrCl + CClF3 = CBrF3 + Cl2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 10.69 ± 0.15 | kcal/mol | Eqk | Coomber and Whittle, 1967 | gas phase; ALS |
+
= C2BrF5 +
By formula: BrCl + C2ClF5 = C2BrF5 + Cl2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 10.3 ± 0.6 | kcal/mol | Eqk | Coomber and Whittle, 1967 | gas phase; ALS |
+
=
+
By formula: CCl4 + Br2 = BrCl + CBrCl3
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 8.8 ± 0.3 | kcal/mol | Eqk | Mendenhall, Golden, et al., 1973 | gas phase; ALS |
Gas phase ion energetics data
Go To: Top, Reaction 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 as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 11.1 ± 0.2 | EI | Irsa and Friedman, 1958 | RDSH |
| 11.01 | PE | Dyke, Josland, et al., 1984 | Vertical value; LBLHLM |
References
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Lee, Smith, et al., 1979
Lee, L.C.; Smith, G.P.; Moseley, J.T.; Cosby, P.C.; Guest, J.A.,
Photodissociation and photodetachment of Cl2-, ClO-, Cl3-, and BrCl2-,
J. Chem. Phys., 1979, 70, 3237. [all data]
Check, Faust, et al., 2001
Check, C.E.; Faust, T.O.; Bailey, J.M.; Wright, B.J.; Gilbert, T.M.; Sunderlin, L.S.,
Addition of Polarization and Diffuse Functions to the LANL2DZ Basis Set for P-Block Elements,
J. Phys. Chem. A,, 2001, 105, 34, 8111, https://doi.org/10.1021/jp011945l
. [all data]
Coomber and Whittle, 1967
Coomber, J.W.; Whittle, E.,
Bond dissociation energies from equilibrium studies. Part 3.-D(CF3-Cl), D(C2F5-Cl) and the enthalpy of formation of CF3Cl,
Trans. Faraday Soc., 1967, 63, 2656-2667. [all data]
Mendenhall, Golden, et al., 1973
Mendenhall, G.D.; Golden, D.M.; Benson, S.W.,
Thermochemistry of the bromination of carbon tetrachloride and the heat of formation of carbon tetrachloride,
J. Phys. Chem., 1973, 77, 2707-2709. [all data]
Irsa and Friedman, 1958
Irsa, A.P.; Friedman, L.,
Mass spectra of halogen fluorides,
J. Inorg. Nucl. Chem., 1958, 6, 77. [all data]
Dyke, Josland, et al., 1984
Dyke, J.M.; Josland, G.D.; Snijders, J.G.; Boerrigter, P.M.,
Ionization energies of the diatomic halogens and interhalogens studied with relativistic hartree-fock-slater calculations,
Chem. Phys., 1984, 91, 419. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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