BH3

Borane · borine, trihydridoboron

Borane is a reactive, hydrogen-rich covalent hydride that serves as a key precursor in the development of advanced chemical storage and synthesis materials.

Crystal structure of BH3
Ground-state structure · Materials Project
Overview

About Borane

Borane is a fundamental boron-hydrogen compound characterized by its insulating electronic nature. As a member of the hydrogen storage hydride family, it represents a lightweight building block for complex borohydride materials, offering a high theoretical capacity for hydrogen density.

Its position near the thermodynamic hull suggests that while it is highly reactive, it remains a critical subject for synthetic research. The compound is extensively studied for its role as a precursor in chemical synthesis and as a foundational model for understanding hydrogen-rich storage systems.

At a glance

Key Properties

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

Band Gap

5.33 eV
Range across DFT structures

Energy Above Hull

0.012 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

203
3 databases, 28 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting BH3.

Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where Borane is used.

Chemical synthesisHydrogen storage researchReducing agent in organic chemistryPrecursor for borohydride materials
Reference

Frequently Asked Questions

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

What is BH3?

Borane is a reactive, hydrogen-rich covalent hydride that serves as a key precursor in the development of advanced chemical storage and synthesis materials.

More questions
What is BH3 used for?
Borane (BH3) is used in chemical synthesis, hydrogen storage research, reducing agent in organic chemistry, and precursor for borohydride materials.
What is the band gap of BH3?
Borane (BH3) has a DFT-computed band gap of 5.33 eV across 203 reported structures.
Is BH3 a metal, semiconductor, or insulator?
With a wide band gap up to 5.33 eV it is an insulator / wide-band-gap material.
Is BH3 thermodynamically stable?
Borane (BH3) has a lowest energy above hull of 0.012 eV/atom (near hull (likely stable)).
How many polymorphs of BH3 are known?
203 structures of BH3 are reported across 3 databases, spanning 28 distinct space groups.
How is BH3 synthesized?
Literature-reported routes for BH3 include solid state.
What elements does BH3 contain?
Borane (BH3) contains B and H (2 elements).
Where does the data for BH3 come from?
BH3 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the hydrogen storage hydrides class.

Unlike the more robust and ionic alkaline earth hydrides such as MgH2 or CaH2, Borane exhibits distinct covalent character and higher reactivity. While stable ionic hydrides like LiH are frequently utilized for their straightforward hydrogen release, BH3 serves as a more complex, high-energy-density component often found in the structural framework of more stable borohydride salts like NaBH4.

Explore

Related Compounds

Other Hydrogen Storage Hydrides in the database.

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

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