Net-Clipping: An Approach to Deduce the Topology of Metal-Organic Frameworks Built with Zigzag Ligands

Borja Ortín-Rubio; Hosein Ghasempour; Vincent Guillerm; Ali Morsali; Judith Juanhuix; Inhar Imaz; Daniel Maspoch

doi:10.1021/jacs.0c03404

Net-Clipping: An Approach to Deduce the Topology of Metal-Organic Frameworks Built with Zigzag Ligands

Borja Ortín-Rubio, Hosein Ghasempour, Vincent Guillerm, Ali Morsali, Judith Juanhuix, Inhar Imaz, Daniel Maspoch

Physical Sciences and Engineering

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

30 Scopus citations

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 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

Original language	English (US)
Journal	Journal of the American Chemical Society
DOIs	https://doi.org/10.1021/jacs.0c03404
State	Published - May 1 2020

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10.1021/jacs.0c03404

https://repository.kaust.edu.sa/bitstream/10754/662749/1/NET_Net%20clipping.pdf

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@article{8ed169da9ea845aebe604c66dcab50d1,

title = "Net-Clipping: An Approach to Deduce the Topology of Metal-Organic Frameworks Built with Zigzag Ligands",

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 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",

author = "Borja Ort{\'i}n-Rubio and Hosein Ghasempour and Vincent Guillerm and Ali Morsali and Judith Juanhuix and Inhar Imaz and Daniel Maspoch",

note = "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).",

year = "2020",

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doi = "10.1021/jacs.0c03404",

language = "English (US)",

journal = "Journal of the American Chemical Society",

issn = "0002-7863",

publisher = "American Chemical Society",

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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

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DO - 10.1021/jacs.0c03404

M3 - Article

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SN - 0002-7863

JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

ER -

Net-Clipping: An Approach to Deduce the Topology of Metal-Organic Frameworks Built with Zigzag Ligands

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CCDC 1990888: Experimental Crystal Structure Determination : catena-[(mu-3,3'-diazenediyldibenzoato)-(N,N-dimethylformamide)-copper(ii) unknown solvate]

CCDC 1990889: Experimental Crystal Structure Determination : catena-[bis(dimethylammonium) hexakis(mu-[1,1'-biphenyl]-3,3'-dicarboxylato)-octakis(mu-hydroxo)-tetra-aqua-hexa-terbium(iii) unknown solvate]

CCDC 1990887: Experimental Crystal Structure Determination : catena-[tris(mu-naphthalene-1,5-dicarboxylato)-(mu-oxo)-tris(N,N-dimethylformamide)-tri-iron(iii) potassium chloride hydroxide monohydrate]

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Net-Clipping: An Approach to Deduce the Topology of Metal-Organic Frameworks Built with Zigzag Ligands

Abstract

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Datasets

CCDC 1990888: Experimental Crystal Structure Determination : catena-[(mu-3,3'-diazenediyldibenzoato)-(N,N-dimethylformamide)-copper(ii) unknown solvate]

CCDC 1990889: Experimental Crystal Structure Determination : catena-[bis(dimethylammonium) hexakis(mu-[1,1'-biphenyl]-3,3'-dicarboxylato)-octakis(mu-hydroxo)-tetra-aqua-hexa-terbium(iii) unknown solvate]

CCDC 1990887: Experimental Crystal Structure Determination : catena-[tris(mu-naphthalene-1,5-dicarboxylato)-(mu-oxo)-tris(N,N-dimethylformamide)-tri-iron(iii) potassium chloride hydroxide monohydrate]

Cite this