TY - JOUR
T1 - Net-Clipping: An Approach to Deduce the Topology of Metal-Organic Frameworks Built with Zigzag Ligands
AU - Ortín-Rubio, Borja
AU - Ghasempour, Hosein
AU - Guillerm, Vincent
AU - Morsali, Ali
AU - Juanhuix, Judith
AU - Imaz, Inhar
AU - Maspoch, Daniel
N1 - KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: This work was supported by the Spanish MINECO (project RTI2018-095622-B-I00), the Catalan AGAUR (project 2017SGR 238), and the ERC under the EU-FP7 (ERC-Co 615954). It was also funded by the CERCA Program/Generalitat de Catalunya. ICN2 is supported by the Severo Ochoa program from the Spanish MINECO (Grant No. SEV-2017-0706).
PY - 2020/5/1
Y1 - 2020/5/1
N2 - 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 netclipping 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 deduces 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 netclipping to form three new MOFs built with zigzag ligands, each of which exhibits the deduced topology
AB - 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 netclipping 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 deduces 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 netclipping to form three new MOFs built with zigzag ligands, each of which exhibits the deduced topology
UR - http://hdl.handle.net/10754/662749
UR - https://pubs.acs.org/doi/10.1021/jacs.0c03404
U2 - 10.1021/jacs.0c03404
DO - 10.1021/jacs.0c03404
M3 - Article
C2 - 32356999
JO - Journal of the American Chemical Society
JF - Journal of the American Chemical Society
SN - 0002-7863
ER -