ClF5

Chlorine pentafluoride · Chlorine(V) fluoride

Chlorine pentafluoride is a highly reactive and stable interhalogen compound primarily utilized as a potent fluorinating agent.

ClF
Crystal structure of ClF5
Ground-state structure · Materials Project
Overview

About Chlorine pentafluoride

Chlorine pentafluoride is a powerful interhalogen compound characterized by its insulating electronic nature. As a thermodynamically stable species, it maintains a robust structural framework that has been extensively documented across multiple crystallographic databases.

Its chemical significance lies in its extreme reactivity, serving as a vigorous fluorinating agent. Due to these properties, it is primarily utilized in high-energy applications where precise control over chemical oxidation and fluorination is required.

At a glance

Key Properties

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

Band Gap

3.09 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

8
3 databases, 2 space groups
Uses

Applications

Where Chlorine pentafluoride is used.

Fluorinating agentOxidizer in rocket propellant researchChemical synthesis
Reference

Frequently Asked Questions

Common questions about Chlorine pentafluoride, answered from cross-validated data.

What is ClF5?

Chlorine pentafluoride is a highly reactive and stable interhalogen compound primarily utilized as a potent fluorinating agent.

More questions
What is ClF5 used for?
Chlorine pentafluoride (ClF5) is used in fluorinating agent, oxidizer in rocket propellant research, and chemical synthesis.
What is the band gap of ClF5?
Chlorine pentafluoride (ClF5) has a DFT-computed band gap of 3.09 eV across 8 reported structures.
Is ClF5 a metal, semiconductor, or insulator?
With a wide band gap up to 3.09 eV it is an insulator / wide-band-gap material.
Is ClF5 thermodynamically stable?
Yes — Chlorine pentafluoride (ClF5) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of ClF5 are known?
8 structures of ClF5 are reported across 3 databases, spanning 2 distinct space groups.
What elements does ClF5 contain?
Chlorine pentafluoride (ClF5) contains Cl and F (2 elements).
Where does the data for ClF5 come from?
ClF5 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique interhalogen compound, chlorine pentafluoride occupies a distinct niche in inorganic chemistry, serving as a high-performance reagent that demonstrates the stability and reactivity profiles characteristic of advanced halogen-based systems.

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

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