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

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.

SUBMITTER: Lennox CB

PROVIDER: S-EPMC8580121 | biostudies-literature | 2021 Nov

REPOSITORIES: biostudies-literature

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

Lennox Cameron B CB Do Jean-Louis JL Crew Joshua G JG Arhangelskis Mihails M Titi Hatem M HM Howarth Ashlee J AJ Farha Omar K OK Friščić Tomislav T

Chemical science 20210914 43

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 (<i>e.g. n</i>-butylithium) with simpler and safer oxides, carbonates or hydroxides. Periodic density-functional theory (DFT) calculations on polymorphic pairs of B ...[more]

PMID: 34881001

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