doi.org
Simplifying and Expanding the Scope of Boron Imidazolate Framework (BIF) Synthesis Using Mechanochemistry
June 2021 • Cameron B. Lennox, Jean‐Louis Do, Joshua Crew, Mihails Arhangelskis, Hatem M. Titi, Ashlee J. Howarth, Omar K. Farha, Tomislav Friščić
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<sup…