Simplifying and expanding the scope of boron imidazolate framework (BIF) synthesis using mechanochemistry

Abstract

Mechanochemistry enables rapid access to boron imidazolate frameworks (BIFs), including the archetypal materials based on Li and Cu(I) nodes, as well as new, 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-butylithium) 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.

Article information

Article type
Edge Article
Submitted
05 Jul 2021
Accepted
13 Sep 2021
First published
14 Sep 2021
This article is Open Access

All publication charges for this article have been paid for by the Royal Society of Chemistry
Creative Commons BY-NC license

Chem. Sci., 2021, Accepted Manuscript

Simplifying and expanding the scope of boron imidazolate framework (BIF) synthesis using mechanochemistry

C. Lennox, J. Do, J. G. Crew, M. Arhangelskis, H. M. Titi, A. J. Howarth, O. K. Farha and T. Friščić, Chem. Sci., 2021, Accepted Manuscript , DOI: 10.1039/D1SC03665C

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