BF3

Boron trifluoride · Boron fluoride

Boron trifluoride is a stable, insulating inorganic compound widely utilized as a powerful Lewis acid catalyst in chemical synthesis.

BF
Crystal structure of BF3
Ground-state structure · Materials Project
Overview

About Boron trifluoride

Boron trifluoride is a highly stable inorganic compound that exists as a wide-band-gap insulator. Its unique electronic structure makes it a potent Lewis acid, which is central to its utility in various chemical transformations and industrial processes.

Because it sits firmly on the convex hull, this compound is exceptionally stable under standard conditions. Its ability to accept electron pairs allows it to facilitate complex reactions, making it a critical reagent in synthetic chemistry and materials manufacturing.

At a glance

Key Properties

Cross-validated computational properties for Boron trifluoride, aggregated across 4 databases.

Band Gap

8.14 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
3 DFT sources

Structures

13
4 databases, 7 space groups
Uses

Applications

Where Boron trifluoride is used.

Lewis acid catalystPolymerization initiatorChemical synthesis reagentIndustrial alkylation processes
Intellectual Property

Patent Landscape

1 patent reference BF3 or close compositional variants.

PatentTitleAssigneeGranted
8765294Asymmetric type BF3 complex
Reference

Frequently Asked Questions

Common questions about Boron trifluoride, answered from cross-validated data.

What is BF3?

Boron trifluoride is a stable, insulating inorganic compound widely utilized as a powerful Lewis acid catalyst in chemical synthesis.

More questions
What is BF3 used for?
Boron trifluoride (BF3) is used in lewis acid catalyst, polymerization initiator, chemical synthesis reagent, and industrial alkylation processes.
What is the band gap of BF3?
Boron trifluoride (BF3) has a DFT-computed band gap of 8.14 eV across 13 reported structures.
Is BF3 a metal, semiconductor, or insulator?
With a wide band gap up to 8.14 eV it is an insulator / wide-band-gap material.
Is BF3 thermodynamically stable?
Yes — Boron trifluoride (BF3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of BF3 are known?
13 structures of BF3 are reported across 4 databases, spanning 7 distinct space groups.
What elements does BF3 contain?
Boron trifluoride (BF3) contains B and F (2 elements).
Where does the data for BF3 come from?
BF3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a standalone, highly stable inorganic molecule, boron trifluoride serves as a fundamental benchmark for Lewis acidity in chemical synthesis. Unlike many complex solid-state materials, its simple molecular structure provides a clear, predictable reactivity profile that is essential for its role as a versatile catalyst in organic and industrial chemistry.

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

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