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

doi:10.1039/d1sc03665c

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

Chemistry

Research output: Contribution to journal › Article › peer-review

8 Scopus citations

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.

Original language	English (US)
Pages (from-to)	14499-14506
Number of pages	8
Journal	Chemical Science
Volume	12
Issue number	43
DOIs	https://doi.org/10.1039/d1sc03665c
State	Published - Nov 21 2021

Funding

We acknowledge support of NSERC Discovery Grant (RGPIN-2017-06467), Discovery Accelerator Award (RGPAS 507837-17), Strategic Grant (STPGP 521582-18), and PGS-D Scholarship (to C. B. L.). MA thanks the National Science Center of Poland (NCN) for the support via SONATA grant (2018/31/D/ST5/03619). We also thank PL-Grid for access to the Prometheus supercomputer. Dr Robin S. Stein is acknowledged for help in acquiring NMR data. Anna Jung of McGill Department of Earth and Planetary Sciences for ICP-MS measurements, and Dr David Liu of the Facility for Electron Microscopy Research (FEMR), McGill University, for SEM imaging.

ASJC Scopus subject areas

General Chemistry

Access to Document

10.1039/d1sc03665c

Cite this

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title = "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.",

author = "Lennox, {Cameron B.} and Do, {Jean Louis} and Crew, {Joshua G.} and Mihails Arhangelskis and Titi, {Hatem M.} and Howarth, {Ashlee J.} and Farha, {Omar K.} and Tomislav Fri{\v s}{\v c}i{\'c}",

note = "Funding Information: We acknowledge support of NSERC Discovery Grant (RGPIN-2017-06467), Discovery Accelerator Award (RGPAS 507837-17), Strategic Grant (STPGP 521582-18), and PGS-D Scholarship (to C. B. L.). MA thanks the National Science Center of Poland (NCN) for the support via SONATA grant (2018/31/D/ST5/03619). We also thank PL-Grid for access to the Prometheus supercomputer. Dr Robin S. Stein is acknowledged for help in acquiring NMR data. Anna Jung of McGill Department of Earth and Planetary Sciences for ICP-MS measurements, and Dr David Liu of the Facility for Electron Microscopy Research (FEMR), McGill University, for SEM imaging. Publisher Copyright: {\textcopyright} The Royal Society of Chemistry.",

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AU - Do, Jean Louis

AU - Crew, Joshua G.

AU - Arhangelskis, Mihails

AU - Titi, Hatem M.

AU - Howarth, Ashlee J.

AU - Farha, Omar K.

AU - Friščić, Tomislav

N1 - Funding Information: We acknowledge support of NSERC Discovery Grant (RGPIN-2017-06467), Discovery Accelerator Award (RGPAS 507837-17), Strategic Grant (STPGP 521582-18), and PGS-D Scholarship (to C. B. L.). MA thanks the National Science Center of Poland (NCN) for the support via SONATA grant (2018/31/D/ST5/03619). We also thank PL-Grid for access to the Prometheus supercomputer. Dr Robin S. Stein is acknowledged for help in acquiring NMR data. Anna Jung of McGill Department of Earth and Planetary Sciences for ICP-MS measurements, and Dr David Liu of the Facility for Electron Microscopy Research (FEMR), McGill University, for SEM imaging. Publisher Copyright: © The Royal Society of Chemistry.

PY - 2021/11/21

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N2 - 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.

AB - 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.

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

Abstract

Funding

ASJC Scopus subject areas

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CCDC 2081806: Experimental Crystal Structure Determination

CCDC 2084944: Experimental Crystal Structure Determination

CCDC 2081807: Experimental Crystal Structure Determination

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

Abstract

Funding

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Datasets

CCDC 2081806: Experimental Crystal Structure Determination

CCDC 2084944: Experimental Crystal Structure Determination

CCDC 2081807: Experimental Crystal Structure Determination

Cite this