Show simple item record

dc.contributor.authorOrtín-Rubio, Borja
dc.contributor.authorGhasempour, Hosein
dc.contributor.authorGuillerm, Vincent
dc.contributor.authorMorsali, Ali
dc.contributor.authorJuanhuix, Judith
dc.contributor.authorImaz, Inhar
dc.contributor.authorMaspoch, Daniel
dc.date.accessioned2020-05-06T10:45:45Z
dc.date.available2020-05-06T10:45:45Z
dc.date.issued2020-05-01
dc.identifier.citationOrtín-Rubio, B., Ghasempour, H., Guillerm, V., Morsali, A., Juanhuix, J., Imaz, I., & Maspoch, D. (2020). Net-Clipping: An Approach to Deduce the Topology of Metal-Organic Frameworks Built with Zigzag Ligands. Journal of the American Chemical Society. doi:10.1021/jacs.0c03404
dc.identifier.issn0002-7863
dc.identifier.issn1520-5126
dc.identifier.doi10.1021/jacs.0c03404
dc.identifier.urihttp://hdl.handle.net/10754/662749
dc.description.abstractHerein 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
dc.description.sponsorshipThis 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).
dc.publisherAmerican Chemical Society (ACS)
dc.relation.urlhttps://pubs.acs.org/doi/10.1021/jacs.0c03404
dc.rightsThis document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of the American Chemical Society, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://pubs.acs.org/doi/10.1021/jacs.0c03404.
dc.titleNet-Clipping: An Approach to Deduce the Topology of Metal-Organic Frameworks Built with Zigzag Ligands
dc.typeArticle
dc.contributor.departmentAdvanced Membranes and Porous Materials Research Center
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalJournal of the American Chemical Society
dc.rights.embargodate2021-05-01
dc.eprint.versionPost-print
dc.contributor.institutionCatalan Institute of Nanoscience and Nanotechnology (ICN2), CSIC and Barcelona Institute of Science and Technology, Campus UAB, Bellaterra, 08193 Barcelona, Spain.
dc.contributor.institutionDepartment of Chemistry, Faculty of Sciences, Tarbiat Modares University, P. O. Box 14115-175, Tehran, Iran.
dc.contributor.institutionAlba Synchrotron Light Facility, 08290 Cerdanyola del Vallès, Barcelona, Spain.
dc.contributor.institutionICREA, Pg. Lluís Companys 23, Barcelona, 08010, Spain.
kaust.personGuillerm, Vincent
dc.relation.issupplementedbyDOI:10.5517/ccdc.csd.cc24tp7x
dc.relation.issupplementedbyDOI:10.5517/ccdc.csd.cc24tp6w
dc.relation.issupplementedbyDOI:10.5517/ccdc.csd.cc24tp5v
refterms.dateFOA2020-05-06T10:46:35Z
display.relations<b> Is Supplemented By:</b> <br/> <ul> <li><i>[Dataset]</i> <br/> . DOI: <a href="https://doi.org/10.5517/ccdc.csd.cc24tp7x">10.5517/ccdc.csd.cc24tp7x</a> HANDLE: <a href="http://hdl.handle.net/10754/664884">10754/664884</a></li></ul><b> Is Supplemented By:</b> <br/> <ul> <li><i>[Dataset]</i> <br/> . DOI: <a href="https://doi.org/10.5517/ccdc.csd.cc24tp6w">10.5517/ccdc.csd.cc24tp6w</a> HANDLE: <a href="http://hdl.handle.net/10754/664887">10754/664887</a></li></ul><b> Is Supplemented By:</b> <br/> <ul> <li><i>[Dataset]</i> <br/> . DOI: <a href="https://doi.org/10.5517/ccdc.csd.cc24tp5v">10.5517/ccdc.csd.cc24tp5v</a> HANDLE: <a href="http://hdl.handle.net/10754/664888">10754/664888</a></li></ul>
dc.date.published-online2020-05-01
dc.date.published-print2020-05-20


Files in this item

Thumbnail
Name:
NET_Net clipping.pdf
Size:
640.2Kb
Format:
PDF
Description:
Accepted manuscript

This item appears in the following Collection(s)

Show simple item record