Net-Clipping: An Approach to Deduce the Topology of Metal–Organic Frameworks Built with Zigzag Ligands
- 1 May 2020
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of the American Chemical Society
- Vol. 142 (20), 9135-9140
- https://doi.org/10.1021/jacs.0c03404
Abstract
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 edge-transitive nets comprising higher-connected molecular building blocks (MBBs). We have applied net-clipping to deduce 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 predicts generation of ten 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 predicted topology.Keywords
Funding Information
- Ministerio de Econom?a y Competitividad (RTI2018-095622-B-I00, SEV-2017-0706)
- Generalitat de Catalunya
- FP7 Ideas: European Research Council (ERC-Co 615954)
- Ag?ncia de Gesti? d'Ajuts Universitaris i de Recerca (2017 SGR 238)
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