BrCl
Bromine monochloride · Bromine chloride
Bromine monochloride is a stable interhalogen compound used primarily as a chemical reagent in industrial and laboratory synthesis.
About Bromine monochloride
Bromine monochloride is a distinct interhalogen compound formed from the reaction of bromine and chlorine. It exists as a thermodynamically stable species that sits on the convex hull, indicating a robust chemical state under standard conditions.
As a semiconducting material, it plays a specialized role in various chemical processes. Its high data richness, supported by numerous reported structures, highlights its importance as a well-characterized subject in inorganic chemistry research.
Key Properties
Cross-validated computational properties for Bromine monochloride, aggregated across 4 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for BrCl, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Cmc21 (No. 36) | orthorhombic | 1.78 | 0.0000 | -2.102 | 2.42 |
| Cmcm (No. 63) | orthorhombic | 1.78 | 0.0000 | -9.726 | 3.11 |
| Cmcm (No. 63) | orthorhombic | 1.81 | 0.0007 | -2.102 | 2.53 |
| P63mc (No. 186) | hexagonal | 1.32 | 0.0960 | -2.006 | 2.40 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.32 |
| Cc (No. 9) | Monoclinic | — | — | — | 3.50 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.27 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.29 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.33 |
| P1 (No. 1) | Triclinic | — | — | — | 3.27 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.49 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 2.42 |
Applications
Where Bromine monochloride is used.
Frequently Asked Questions
Common questions about Bromine monochloride, answered from cross-validated data.
What is BrCl?
Bromine monochloride is a stable interhalogen compound used primarily as a chemical reagent in industrial and laboratory synthesis.
What is BrCl used for?
What is the band gap of BrCl?
Is BrCl a metal, semiconductor, or insulator?
Is BrCl thermodynamically stable?
What is the crystal structure of BrCl?
What is the density of BrCl?
How many polymorphs of BrCl are known?
What elements does BrCl contain?
Where does the data for BrCl come from?
How It Compares
As a standalone interhalogen compound in this context, bromine monochloride serves as a fundamental example of halogen-halogen bonding. It exhibits the characteristic reactivity profiles expected of interhalogens, functioning as a potent halogenating agent and a versatile chemical intermediate in synthetic applications.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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