ICl3

Iodine trichloride · Iodine(III) chloride

Iodine trichloride is a stable, semiconducting interhalogen compound frequently utilized as a chlorinating or oxidizing agent in chemical synthesis.

ClI
Crystal structure of ICl3
Ground-state structure · Materials Project
Overview

About Iodine trichloride

Iodine trichloride is a distinct interhalogen compound formed by the combination of iodine and chlorine. As a thermodynamically stable species situated on the convex hull, it represents a well-defined chemical entity within its class of halogen-based materials.

Exhibiting semiconducting electronic characteristics, this compound is of significant interest in synthetic chemistry. Its structural diversity is evidenced by numerous reported configurations across multiple databases, highlighting its versatile role in chemical research.

At a glance

Key Properties

Cross-validated computational properties for Iodine trichloride, aggregated across 4 databases.

Band Gap

1.57–1.80 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

45
4 databases, 10 space groups
Uses

Applications

Where Iodine trichloride is used.

Chlorinating agentOxidizing agentOrganic synthesis reagent
Reference

Frequently Asked Questions

Common questions about Iodine trichloride, answered from cross-validated data.

What is ICl3?

Iodine trichloride is a stable, semiconducting interhalogen compound frequently utilized as a chlorinating or oxidizing agent in chemical synthesis.

More questions
What is ICl3 used for?
Iodine trichloride (ICl3) is used in chlorinating agent, oxidizing agent, and organic synthesis reagent.
What is the band gap of ICl3?
Iodine trichloride (ICl3) has a DFT-computed band gap of 1.57–1.80 eV across 45 reported structures.
Is ICl3 a metal, semiconductor, or insulator?
With a band gap up to 1.80 eV it is a semiconductor.
Is ICl3 thermodynamically stable?
Yes — Iodine trichloride (ICl3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of ICl3 are known?
45 structures of ICl3 are reported across 4 databases, spanning 10 distinct space groups.
What elements does ICl3 contain?
Iodine trichloride (ICl3) contains Cl and I (2 elements).
Where does the data for ICl3 come from?
ICl3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a standalone interhalogen compound in this context, iodine trichloride serves as a fundamental reference point for understanding the bonding and reactivity patterns inherent to iodine-chlorine systems.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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