Materials Chemistry

Simplifying and Expanding the Scope of Boron Imidazolate Framework (BIF) Synthesis Using Mechanochemistry


Mechanochemistry enables rapid access to boron imidazolate frameworks (BIFs), including ultralight materials based on Li and Cu(I) nodes, as well as new and previously unexplored systems based on Ag(I) nodes. Compared to solution methods, mechanochemistry is faster, provides materials with improved porosity, and replaces harsh reactants (e.g. n-butyllithium) with simpler and safer oxides, carbonates or hydroxides. Periodic density-functional theory (DFT) calculations on polymorphic pairs of BIFs based on Li+, Cu+, and Ag+ nodes reveals that heavy-atom nodes increase the stability of the open SOD-framework relative to the non-porous dia-polymorph.

Version notes

This is Version 1.0.


Thumbnail image of Manuscript_ChemRxiv.pdf
download asset Manuscript_ChemRxiv.pdf 1 MB [opens in a new tab]

Supplementary material

Thumbnail image of SI_ChemRxiv.pdf
download asset SI_ChemRxiv.pdf 1 MB [opens in a new tab]
SI ChemRxiv