Please use this identifier to cite or link to this item: https://hdl.handle.net/11000/31046
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dc.contributor.authorZink Lorre, Nathalie-
dc.contributor.authorDoncel-Giménez, Azahara-
dc.contributor.authorFont-Sanchis, Enrique-
dc.contributor.authorCalbo, Joaquín-
dc.contributor.authorSastre-Santos, Ángela-
dc.contributor.authorOrtí, Enrique-
dc.contributor.authorFernández-Lázaro, Fernando-
dc.contributor.otherDepartamentos de la UMH::Farmacología, Pediatría y Química Orgánicaes_ES
dc.date.accessioned2024-02-05T11:35:25Z-
dc.date.available2024-02-05T11:35:25Z-
dc.date.created2019-
dc.identifier.citationOrganic Chemistry Frontiers, 2019, 6, 2860es_ES
dc.identifier.issn2052-4129-
dc.identifier.issn2052-4110-
dc.identifier.urihttps://hdl.handle.net/11000/31046-
dc.description.abstractA one-step reaction for the fusion of aromatic rings to one or both bay areas of perylenediimides using benzynes is presented. Yields as high as 70% for naphthoperylenendiimide 2 and 80% for dibenzocoronenediimide 3 are obtained. The reaction is also carried out using substituted benzynes, heteroaromatic benzynes and substituted perylenediimides. A combined experimental/theoretical approach, based on measuring redox and absorption/emission properties and performing density functional theory calculations, indicates that increasing the π-skeleton of PDIs transversally leads to significant and unexpected changes in the electronic, redox and optical properties. The observed trends are rationalized in terms of molecular orbital topology and overlap according to three different levels of core expansion, and can be used as design principles for obtaining PDIs with improved functionalities.es_ES
dc.formatapplication/pdfes_ES
dc.format.extent12es_ES
dc.language.isoenges_ES
dc.publisherRoyal Society of Chemistryes_ES
dc.rightsinfo:eu-repo/semantics/closedAccesses_ES
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/*
dc.titleDiels–Alder reaction on perylenediimides: synthesis and theoretical study of core-expanded diimideses_ES
dc.typeinfo:eu-repo/semantics/articlees_ES
dc.contributor.instituteInstitutos de la UMH::Instituto de Bioingenieríaes_ES
dc.relation.publisherversionhttps://doi.org/10.1039/c9qo00682fes_ES
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