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

Cameron B. Lennox, Jean Louis Do, Joshua G. Crew, Mihails Arhangelskis, Hatem M. Titi, Ashlee J. Howarth, Omar K. Farha, Tomislav Friščić*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract

Mechanochemistry enables rapid access to boron imidazolate frameworks (BIFs), including ultralight 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. This journal is

Original languageEnglish (US)
Pages (from-to)14499-14506
Number of pages8
JournalChemical Science
Volume12
Issue number43
DOIs
StatePublished - Nov 21 2021

ASJC Scopus subject areas

  • Chemistry(all)

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