TaF5

Tantalum pentafluoride · Tantalum(V) fluoride

Tantalum pentafluoride is a stable, insulating metal fluoride widely employed as a powerful Lewis acid catalyst in synthetic chemistry.

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Crystal structure of TaF5
Ground-state structure · Materials Project
Overview

About Tantalum pentafluoride

Tantalum pentafluoride is a highly reactive inorganic compound characterized by its insulating electronic nature and robust thermodynamic stability. As a member of the metal fluoride family, it is frequently utilized for its strong Lewis acidity, which facilitates complex chemical transformations in industrial and laboratory settings.

This compound is notable for its structural versatility, appearing in numerous distinct configurations across various databases. Its ability to act as a potent fluorinating agent and catalyst makes it an essential material for advanced chemical processing and materials science research.

At a glance

Key Properties

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

Band Gap

3.38–5.54 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

50
3 databases, 11 space groups
Uses

Applications

Where Tantalum pentafluoride is used.

Lewis acid catalystFluorinating agentChemical synthesis intermediate
Intellectual Property

Patent Landscape

2 patents reference TaF5 or close compositional variants.

PatentTitleAssigneeGranted
4426430Inorganic NbF.sub.5 (TaF.sub.5)-P.sub.2 O.sub.5 electrolytes
4124692Preparation of anhydrous TaF.sub.5
Reference

Frequently Asked Questions

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

What is TaF5?

Tantalum pentafluoride is a stable, insulating metal fluoride widely employed as a powerful Lewis acid catalyst in synthetic chemistry.

More questions
What is TaF5 used for?
Tantalum pentafluoride (TaF5) is used in lewis acid catalyst, fluorinating agent, and chemical synthesis intermediate.
What is the band gap of TaF5?
Tantalum pentafluoride (TaF5) has a DFT-computed band gap of 3.38–5.54 eV across 50 reported structures.
Is TaF5 a metal, semiconductor, or insulator?
With a wide band gap up to 5.54 eV it is an insulator / wide-band-gap material.
Is TaF5 thermodynamically stable?
Yes — Tantalum pentafluoride (TaF5) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of TaF5 are known?
50 structures of TaF5 are reported across 3 databases, spanning 11 distinct space groups.
What elements does TaF5 contain?
Tantalum pentafluoride (TaF5) contains F and Ta (2 elements).
Where does the data for TaF5 come from?
TaF5 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a primary tantalum-based fluoride, this compound serves as a cornerstone for high-reactivity chemical applications, representing a stable and well-characterized entry point into the chemistry of group five transition metal halides.

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

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