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dc.contributor.authorOrtí, Enrique
dc.date.accessioned2018-05-16T08:48:24Z
dc.date.available2018-05-16T08:48:24Z
dc.date.created2018-05
dc.date.issued2018-05-16
dc.identifier.urihttps://hdl.handle.net/10630/15735
dc.description.abstractSupramolecular aggregates and polymers are macromolecular entities that grow up by the non-covalent interaction of suitable monomeric units. In the search for new materials for optoelectronic applications through self-assembly, the control over the assembly process is one of the most sought-after characteristics. This control is usually achieved by a proper design of the monomeric structure and of the self-assembling motifs (H-bonds, π-stacking, dispersion forces or electrostatic interactions). The self-assembly of donor-acceptor supramolecular dimers formed by fullerene fragments (buckybowls) and tetrathiafulvalene (TTF)-based electron donors is first described in this presentation. The study relies on theoretical density functional theory (DFT) calculations and illustrates the difficulties in theoretically describing non-covalent interactions. In a following step, the polymerization mechanism and the structural properties of the supramolecular aggregates formed by monomeric units incorporating electroactive fragments are discussed on the basis of theoretical calculations. The discussion includes two types of monomeric units: 1) a bisurea macrocycle bearing electron-donor DMTTF moieties that leads to supramolecular polymers whose self-assembly can be electrochemically controlled, and 2) C3-symmetry conjugated systems decorated with peripheral amide groups endowed with paraffinic side chains that form helical π-stacked supramolecular polymers with defined chirality.en_US
dc.description.sponsorshipUniversidad de Málaga. Campus de Excelencia Internacional Andalucía Tech.en_US
dc.language.isoengen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/*
dc.subjectQuímica física - Conferenciasen_US
dc.subject.otherElectroactive systemsen_US
dc.subject.otherSupramolecular aggregatesen_US
dc.subject.otherDensity functional theoryen_US
dc.titleSelf-assembly of electroactive systems: from dimers to supramolecular polymersen_US
dc.typeinfo:eu-repo/semantics/conferenceObjecten_US
dc.centroFacultad de Cienciasen_US
dc.relation.eventtitleConferencia en el Departamento de Química Físicaen_US
dc.relation.eventplaceMálaga, Españaen_US
dc.relation.eventdate17/05/2018en_US
dc.rights.ccAttribution-NonCommercial-NoDerivatives 4.0 Internacional*


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Attribution-NonCommercial-NoDerivatives 4.0 Internacional
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