TiBr4

Titanium tetrabromide · Titanium(IV) bromide

Titanium tetrabromide is a stable, semiconducting inorganic compound primarily used as a chemical precursor and catalyst in industrial synthesis.

BrTi
Crystal structure of TiBr4
Ground-state structure · Materials Project
Overview

About Titanium tetrabromide

Titanium tetrabromide is a semiconducting inorganic halide that sits firmly on the thermodynamic convex hull, indicating high stability under standard conditions. Its chemical profile makes it a versatile reagent in synthetic chemistry and materials processing.

Due to its ability to act as a Lewis acid, this compound is frequently utilized in the production of specialized coatings and as a catalyst in various industrial chemical transformations. Its structural reliability is supported by extensive reporting across multiple crystallographic databases.

At a glance

Key Properties

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

Band Gap

2.50–2.78 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

19
3 databases, 10 space groups
Uses

Applications

Where Titanium tetrabromide is used.

Chemical vapor depositionOrganic synthesis catalystPrecursor for titanium-based materials
Intellectual Property

Patent Landscape

1 patent reference TiBr4 or close compositional variants.

PatentTitleAssigneeGranted
5656338Liquid solution of TiBr.sub.4 in Br.sub.2 used as a precursor for the chemical vapor deposition of titanium or
Reference

Frequently Asked Questions

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

What is TiBr4?

Titanium tetrabromide is a stable, semiconducting inorganic compound primarily used as a chemical precursor and catalyst in industrial synthesis.

More questions
What is TiBr4 used for?
Titanium tetrabromide (TiBr4) is used in chemical vapor deposition, organic synthesis catalyst, and precursor for titanium-based materials.
What is the band gap of TiBr4?
Titanium tetrabromide (TiBr4) has a DFT-computed band gap of 2.50–2.78 eV across 19 reported structures.
Is TiBr4 a metal, semiconductor, or insulator?
With a band gap up to 2.78 eV it is a semiconductor.
Is TiBr4 thermodynamically stable?
Yes — Titanium tetrabromide (TiBr4) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of TiBr4 are known?
19 structures of TiBr4 are reported across 3 databases, spanning 10 distinct space groups.
What elements does TiBr4 contain?
Titanium tetrabromide (TiBr4) contains Br and Ti (2 elements).
Where does the data for TiBr4 come from?
TiBr4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a primary titanium halide, this compound serves as a critical reference point for understanding the reactivity and structural properties of group four metal bromides in industrial applications.

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

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