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CFA-1: The first chiral metal-organic framework containing Kuratowski-type secondary building units

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CFA-1: The first chiral metal-organic framework containing Kuratowski-type secondary building units

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dc.contributor.author Schmieder, Phillip es_ES
dc.contributor.author Denysenko, Dmytro es_ES
dc.contributor.author Grzywa, Maciej es_ES
dc.contributor.author Baumgaertner, Benjamin es_ES
dc.contributor.author Senkovska, Irena es_ES
dc.contributor.author Kaskel, Stefan es_ES
dc.contributor.author Sastre Navarro, German Ignacio es_ES
dc.contributor.author van Wuellen, Leo es_ES
dc.contributor.author Volkmer, Dirk es_ES
dc.date.accessioned 2016-09-20T11:27:25Z
dc.date.available 2016-09-20T11:27:25Z
dc.date.issued 2013
dc.identifier.issn 1477-9226
dc.identifier.uri http://hdl.handle.net/10251/70155
dc.description.abstract [EN] The novel homochiral metal-organic framework CFA-1 (Coordination Framework Augsburg-1), [Zn-5(OAc) 4(bibta)(3)], containing the achiral linker {H-2-bibta = 1H, 1' H-5,5'-bibenzo[d][1,2,3] triazole}, has been synthesised. The reaction of H-2-bibta and Zn(OAc)(2)center dot 2H(2)O in N-methylformamide (NMF) (90 degrees C, 3 d) yields CFA-1 as trigonal prismatic single crystals. CFA-1 serves as a convenient precursor for the synthesis of isostructural frameworks with redox-active metal centres, which is demonstrated by the postsynthetic exchange of Zn2+ by Co2+ ions. The framework is robust to solvent removal and has been structurally characterized by synchrotron single-crystal X-ray diffraction and solid state NMR measurements (C-13 MAS-and H-1 MAS-NMR at 10 kHz). Results from MAS-NMR and IR spectroscopy studies are corroborated by cluster and periodic DFT calculations performed on CFA-1 cluster fragments. es_ES
dc.description.sponsorship Financial support by the DFG (Priority Program SPP 1362 "Porous Metal-organic Frameworks") is gratefully acknowledged. G. Sastre thanks the Spanish government for the provision of the programme "Severo Ochoa" (project SEV 2012 0267), and SGAI-CSIC for computing time. The authors are grateful to Dr U. Mueller for support during single crystals measurements and the Helmholtz Centre, Berlin for financing the travel costs to BESSY II. The authors are grateful to J. Jelic (Dept. of Chemistry, TU Munich) for performing DFT calculations on CFA-1 structure models employing periodic boundary conditions.
dc.language Inglés es_ES
dc.publisher Royal Society of Chemistry es_ES
dc.relation.ispartof Dalton Transactions es_ES
dc.rights Reserva de todos los derechos es_ES
dc.title CFA-1: The first chiral metal-organic framework containing Kuratowski-type secondary building units es_ES
dc.type Artículo es_ES
dc.identifier.doi 10.1039/C3DT50787D
dc.relation.projectID info:eu-repo/grantAgreement/DFG//SPP 1362/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MINECO//SEV-2012-0267/ es_ES
dc.rights.accessRights Cerrado es_ES
dc.contributor.affiliation Universitat Politècnica de València. Instituto Universitario Mixto de Tecnología Química - Institut Universitari Mixt de Tecnologia Química es_ES
dc.description.bibliographicCitation Schmieder, P.; Denysenko, D.; Grzywa, M.; Baumgaertner, B.; Senkovska, I.; Kaskel, S.; Sastre Navarro, GI.... (2013). CFA-1: The first chiral metal-organic framework containing Kuratowski-type secondary building units. Dalton Transactions. 42(30):10786-10797. https://doi.org/10.1039/C3DT50787D es_ES
dc.description.accrualMethod S es_ES
dc.relation.publisherversion http://dx.doi.org/10.1039/c3dt50787d es_ES
dc.description.upvformatpinicio 10786 es_ES
dc.description.upvformatpfin 10797 es_ES
dc.type.version info:eu-repo/semantics/publishedVersion es_ES
dc.description.volume 42 es_ES
dc.description.issue 30 es_ES
dc.relation.senia 261097 es_ES
dc.identifier.pmid 23775495
dc.contributor.funder Deutsche Forschungsgemeinschaft
dc.contributor.funder Ministerio de Economía y Competitividad es_ES
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