Net-clipping

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 b...

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Autores: Ortín-Rubio, Borja|||0000-0002-0533-3635, Ghasempour, Hosein, Guillerm, Vincent|||0000-0003-3460-223X, Morsali, Ali|||0000-0002-1828-7287, Juanhuix, Judith|||0000-0003-3728-8215, Imaz, Inhar|||0000-0002-0278-1141, Maspoch Comamala, Daniel|||0000-0003-1325-9161
Tipo de recurso: artículo
Fecha de publicación:2020
País:España
Institución:Universitat Autònoma de Barcelona
Repositorio:Dipòsit Digital de Documents de la UAB
Idioma:inglés
OAI Identifier:oai:ddd.uab.cat:233988
Acceso en línea:https://ddd.uab.cat/record/233988
https://dx.doi.org/urn:doi:10.1021/jacs.0c03404
Access Level:acceso abierto
Palabra clave:Experimental research
Metalorganic frameworks (MOFs)
Molecular building blocks
New approaches
Organic ligands
Proof of concept
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spelling Net-clippingan approach to deduce the topology of metal-organic frameworks built with zigzag ligandsOrtín-Rubio, Borja|||0000-0002-0533-3635Ghasempour, HoseinGuillerm, Vincent|||0000-0003-3460-223XMorsali, Ali|||0000-0002-1828-7287Juanhuix, Judith|||0000-0003-3728-8215Imaz, Inhar|||0000-0002-0278-1141Maspoch Comamala, Daniel|||0000-0003-1325-9161Experimental researchMetalorganic frameworks (MOFs)Molecular building blocksNew approachesOrganic ligandsProof of conceptHerein 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 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. 22020-01-0120202020-01-01Articlehttp://purl.org/coar/resource_type/c_6501SMURhttp://purl.org/coar/version/c_71e4c1898caa6e32info:eu-repo/semantics/articleapplication/pdfhttps://ddd.uab.cat/record/233988https://dx.doi.org/urn:doi:10.1021/jacs.0c03404reponame:Dipòsit Digital de Documents de la UABinstname:Universitat Autònoma de BarcelonaInglésengEuropean Commission https://doi.org/10.13039/501100000780 615954Agencia Estatal de Investigación https://doi.org/10.13039/501100011033 RTI2018-095622-B-I00Ministerio de Economía y Competitividad https://doi.org/10.13039/501100003329 SEV-2017-0706Agència de Gestió d'Ajuts Universitaris i de Recerca https://doi.org/10.13039/501100003030 2017/SGR-238open accesshttp://purl.org/coar/access_right/c_abf2Aquest material està protegit per drets d'autor i/o drets afins. Podeu utilitzar aquest material en funció del que permet la legislació de drets d'autor i drets afins d'aplicació al vostre cas. Per a d'altres usos heu d'obtenir permís del(s) titular(s) de drets.https://rightsstatements.org/vocab/InC/1.0/info:eu-repo/semantics/openAccessoai:ddd.uab.cat:2339882026-06-06T12:50:31Z
dc.title.none.fl_str_mv Net-clipping
an approach to deduce the topology of metal-organic frameworks built with zigzag ligands
title Net-clipping
spellingShingle Net-clipping
Ortín-Rubio, Borja|||0000-0002-0533-3635
Experimental research
Metalorganic frameworks (MOFs)
Molecular building blocks
New approaches
Organic ligands
Proof of concept
title_short Net-clipping
title_full Net-clipping
title_fullStr Net-clipping
title_full_unstemmed Net-clipping
title_sort Net-clipping
dc.creator.none.fl_str_mv Ortín-Rubio, Borja|||0000-0002-0533-3635
Ghasempour, Hosein
Guillerm, Vincent|||0000-0003-3460-223X
Morsali, Ali|||0000-0002-1828-7287
Juanhuix, Judith|||0000-0003-3728-8215
Imaz, Inhar|||0000-0002-0278-1141
Maspoch Comamala, Daniel|||0000-0003-1325-9161
author Ortín-Rubio, Borja|||0000-0002-0533-3635
author_facet Ortín-Rubio, Borja|||0000-0002-0533-3635
Ghasempour, Hosein
Guillerm, Vincent|||0000-0003-3460-223X
Morsali, Ali|||0000-0002-1828-7287
Juanhuix, Judith|||0000-0003-3728-8215
Imaz, Inhar|||0000-0002-0278-1141
Maspoch Comamala, Daniel|||0000-0003-1325-9161
author_role author
author2 Ghasempour, Hosein
Guillerm, Vincent|||0000-0003-3460-223X
Morsali, Ali|||0000-0002-1828-7287
Juanhuix, Judith|||0000-0003-3728-8215
Imaz, Inhar|||0000-0002-0278-1141
Maspoch Comamala, Daniel|||0000-0003-1325-9161
author2_role author
author
author
author
author
author
dc.subject.none.fl_str_mv Experimental research
Metalorganic frameworks (MOFs)
Molecular building blocks
New approaches
Organic ligands
Proof of concept
topic Experimental research
Metalorganic frameworks (MOFs)
Molecular building blocks
New approaches
Organic ligands
Proof of concept
description 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 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.
publishDate 2020
dc.date.none.fl_str_mv 2
2020-01-01
2020
2020-01-01
dc.type.none.fl_str_mv Article
http://purl.org/coar/resource_type/c_6501
SMUR
http://purl.org/coar/version/c_71e4c1898caa6e32
dc.type.openaire.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv https://ddd.uab.cat/record/233988
https://dx.doi.org/urn:doi:10.1021/jacs.0c03404
url https://ddd.uab.cat/record/233988
https://dx.doi.org/urn:doi:10.1021/jacs.0c03404
dc.language.none.fl_str_mv Inglés
eng
language_invalid_str_mv Inglés
language eng
dc.relation.none.fl_str_mv European Commission https://doi.org/10.13039/501100000780 615954
Agencia Estatal de Investigación https://doi.org/10.13039/501100011033 RTI2018-095622-B-I00
Ministerio de Economía y Competitividad https://doi.org/10.13039/501100003329 SEV-2017-0706
Agència de Gestió d'Ajuts Universitaris i de Recerca https://doi.org/10.13039/501100003030 2017/SGR-238
dc.rights.none.fl_str_mv open access
http://purl.org/coar/access_right/c_abf2
https://rightsstatements.org/vocab/InC/1.0/
dc.rights.openaire.fl_str_mv info:eu-repo/semantics/openAccess
rights_invalid_str_mv open access
http://purl.org/coar/access_right/c_abf2
https://rightsstatements.org/vocab/InC/1.0/
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.source.none.fl_str_mv reponame:Dipòsit Digital de Documents de la UAB
instname:Universitat Autònoma de Barcelona
instname_str Universitat Autònoma de Barcelona
reponame_str Dipòsit Digital de Documents de la UAB
collection Dipòsit Digital de Documents de la UAB
repository.name.fl_str_mv
repository.mail.fl_str_mv
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