ICl3
Iodine trichloride · Iodine(III) chloride
Iodine trichloride is a bright yellow crystalline solid that acts as a powerful chlorinating and oxidizing agent. It is primarily utilized in chemical synthesis and laboratory research for the functionalization of organic compounds.
Key Properties
Cross-validated computational properties for Iodine trichloride, 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 ICl3, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 1.80 | 0.0000 | -2.432 | 2.48 |
| P-1 (No. 2) | triclinic | 1.57 | 0.0000 | -10.950 | 3.02 |
| P1 (No. 1) | Triclinic | — | — | — | 3.96 |
| P2/m (No. 10) | Monoclinic | — | — | — | 3.01 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.52 |
| P2/m (No. 10) | Monoclinic | — | — | — | 3.81 |
| P1 (No. 1) | Triclinic | — | — | — | 6.11 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.55 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.89 |
| P1 (No. 1) | Triclinic | — | — | — | 3.58 |
| P1 (No. 1) | Triclinic | — | — | — | 2.22 |
| Pm (No. 6) | Monoclinic | — | — | — | 4.79 |
Applications
Where Iodine trichloride is used.
Frequently Asked Questions
Common questions about Iodine trichloride, answered from cross-validated data.
What is ICl3?
Iodine trichloride is a bright yellow crystalline solid that acts as a powerful chlorinating and oxidizing agent. It is primarily utilized in chemical synthesis and laboratory research for the functionalization of organic compounds.
What is ICl3 used for?
What is the band gap of ICl3?
Is ICl3 a metal, semiconductor, or insulator?
Is ICl3 thermodynamically stable?
What is the crystal structure of ICl3?
What is the density of ICl3?
How many polymorphs of ICl3 are known?
What elements does ICl3 contain?
Where does the data for ICl3 come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
Analyze ICl3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →