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) |
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Pages (from-to) | 14499-14506 |
Number of pages | 8 |
Journal | Chemical Science |
Volume | 12 |
Issue number | 43 |
DOIs | |
State | Published - Nov 21 2021 |
ASJC Scopus subject areas
- Chemistry(all)
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CCDC 2081807: Experimental Crystal Structure Determination
Lennox, C. B. (Contributor), Do, J. (Contributor), Crew, J. G. (Contributor), Arhangelskis, M. (Contributor), Titi, H. M. (Contributor), Howarth, A. J. (Contributor), Farha, O. K. (Contributor), Friščić, T. (Contributor), Do, J. (Contributor) & Farha, O. K. (Contributor), Cambridge Crystallographic Data Centre, 2021
DOI: 10.5517/ccdc.csd.cc27w92j, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc27w92j&sid=DataCite
Dataset
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CCDC 2084944: Experimental Crystal Structure Determination
Lennox, C. B. (Contributor), Do, J. (Contributor), Crew, J. G. (Contributor), Arhangelskis, M. (Contributor), Titi, H. M. (Contributor), Howarth, A. J. (Contributor), Farha, O. K. (Contributor), Friščić, T. (Contributor), Do, J. (Contributor) & Farha, O. K. (Contributor), Cambridge Crystallographic Data Centre, 2021
DOI: 10.5517/ccdc.csd.cc27zk82, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc27zk82&sid=DataCite
Dataset
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CCDC 2081806: Experimental Crystal Structure Determination
Lennox, C. B. (Contributor), Do, J. (Contributor), Crew, J. G. (Contributor), Arhangelskis, M. (Contributor), Titi, H. M. (Contributor), Howarth, A. J. (Contributor), Farha, O. K. (Contributor), Friščić, T. (Contributor), Do, J. (Contributor) & Farha, O. K. (Contributor), Cambridge Crystallographic Data Centre, 2021
DOI: 10.5517/ccdc.csd.cc27w91h, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc27w91h&sid=DataCite
Dataset