Journal
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Volume 142, Issue 20, Pages 9135-9140Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jacs.0c03404
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Funding
- Spanish MINECO [RTI2018-095622-B-I00]
- Catalan AGAUR [2017 SGR 238]
- ERC under the EU-FP7 [ERC-Co 615954]
- CERCA Program/Generalitat de Catalunya
- Severo Ochoa program from the Spanish MINECO [SEV-2017-0706]
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Herein we propose a new approach for deducing the topology of metal-organic frameworks (MOFs) assembled from organic ligands of low symmetry, which we call net-clipping. It is based on the construction of nets by rational deconstruction of edgetransitive nets comprising higher-connected molecular building blocks (MBBs). We have applied net-clipping to predict the topologies of MOFs containing zigzag ligands. To this end, we derived 2-connected (2-c) zigzag ligands from 4-c square-like MBBs by first splitting the 4-c nodes into two 3-c nodes and then clipping their two diagonally connecting groups. We demonstrate that, when this approach is applied to the 17 edge-transitive nets containing square-like 4-c MBBs, net-clipping leads to generation of 10 nets with different underlying topologies. Moreover, we report that literature and experimental research corroborate successful implementation of our approach. As proof-of-concept, we employed net-clipping to form three new MOFs built with zigzag ligands, each of which exhibits the deduced topology.
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