WCl4O

WCl4O is a semiconducting tungsten oxychloride compound characterized by its metastable nature and structural diversity.

ClOW
Crystal structure of WCl4O
Ground-state structure · Materials Project
Overview

About WCl4O

Tungsten tetrachloride oxide is a specialized inorganic compound containing tungsten, chlorine, and oxygen. As a semiconducting material, it represents a unique chemical configuration that draws interest for its potential reactivity and structural complexity in coordination chemistry. The compound is noted for being thermodynamically metastable, placing it above the ground-state hull. Its existence across multiple structural configurations highlights its role as a subject of ongoing investigation in solid-state research and synthetic chemistry.

At a glance

Key Properties

Cross-validated computational properties for WCl4O, aggregated across 3 databases.

Band Gap

2.33 eV
Range across DFT structures

Energy Above Hull

0.156 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

5
3 databases, 1 space group
Uses

Applications

Where WCl4O is used.

Chemical synthesisPrecursor for tungsten-based materialsCoordination chemistry research
Reference

Frequently Asked Questions

Common questions about WCl4O, answered from cross-validated data.

What is WCl4O?

WCl4O is a semiconducting tungsten oxychloride compound characterized by its metastable nature and structural diversity.

More questions
What is WCl4O used for?
WCl4O is used in chemical synthesis, precursor for tungsten-based materials, and coordination chemistry research.
What is the band gap of WCl4O?
WCl4O has a DFT-computed band gap of 2.33 eV across 5 reported structures.
Is WCl4O a metal, semiconductor, or insulator?
With a band gap up to 2.33 eV it is a semiconductor.
Is WCl4O thermodynamically stable?
WCl4O has a lowest energy above hull of 0.156 eV/atom (above hull).
How many polymorphs of WCl4O are known?
5 structures of WCl4O are reported across 3 databases, spanning 1 distinct space group.
What elements does WCl4O contain?
WCl4O contains Cl, O, and W (3 elements).
Where does the data for WCl4O come from?
WCl4O data is cross-referenced from latticegraph.
Comparison

How It Compares

As a specialized tungsten-based oxychloride, this compound serves as a distinct example of high-oxidation-state transition metal halides. While it lacks direct structural analogs in this specific grouping, it functions as a critical case study for understanding the stability limits of tungsten-based chemical precursors.

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

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