TiCl3

Titanium trichloride · Titanium(III) chloride

Titanium trichloride is a stable semiconducting compound frequently utilized as a catalyst in the industrial production of polymers.

ClTi
Crystal structure of TiCl3
Ground-state structure · Materials Project
Overview

About Titanium trichloride

Titanium trichloride is a thermodynamically stable inorganic compound that exhibits characteristic semiconducting electronic properties. Its structural versatility is highlighted by the extensive number of reported crystalline arrangements documented across materials databases.

This compound is primarily valued for its utility in chemical synthesis and industrial manufacturing. Its ability to facilitate specific chemical reactions makes it a cornerstone material in the production of high-performance polymers and other specialized chemical products.

At a glance

Key Properties

Cross-validated computational properties for Titanium trichloride, aggregated across 3 databases.

Band Gap

0.02–0.35 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

108
3 databases, 22 space groups
Uses

Applications

Where Titanium trichloride is used.

Ziegler-Natta polymerization catalystChemical synthesis reagentOrganic reaction catalyst
Reference

Frequently Asked Questions

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

What is TiCl3?

Titanium trichloride is a stable semiconducting compound frequently utilized as a catalyst in the industrial production of polymers.

More questions
What is TiCl3 used for?
Titanium trichloride (TiCl3) is used in ziegler-Natta polymerization catalyst, chemical synthesis reagent, and organic reaction catalyst.
What is the band gap of TiCl3?
Titanium trichloride (TiCl3) has a DFT-computed band gap of 0.02–0.35 eV across 108 reported structures.
Is TiCl3 a metal, semiconductor, or insulator?
With a band gap up to 0.35 eV it is a semiconductor.
Is TiCl3 thermodynamically stable?
Yes — Titanium trichloride (TiCl3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of TiCl3 are known?
108 structures of TiCl3 are reported across 3 databases, spanning 22 distinct space groups.
What elements does TiCl3 contain?
Titanium trichloride (TiCl3) contains Cl and Ti (2 elements).
Where does the data for TiCl3 come from?
TiCl3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a primary titanium-based halide, titanium trichloride serves as a fundamental benchmark for transition metal chemistry. It defines the standard for catalytic activity in its class, providing a robust and well-understood framework for researchers exploring the reactivity and structural behavior of trivalent titanium compounds.

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

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