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dc.contributor.authorBadía-Domínguez, María Irene
dc.contributor.authorHartl, Frantisek
dc.contributor.authorLi, Hongxiang
dc.contributor.authorSeki, Shu
dc.contributor.authorSakamaki, Daisuke
dc.contributor.authorNegri, Fabrizia
dc.contributor.authorLópez Navarrete, Juan T.
dc.contributor.authorHernández-Jolín, Víctor 
dc.contributor.authorRuíz-Delgado, María del Carmen
dc.date.accessioned2022-11-29T12:42:11Z
dc.date.available2022-11-29T12:42:11Z
dc.date.issued2022
dc.identifier.urihttps://hdl.handle.net/10630/25538
dc.description.abstractπ-Conjugated diradical compounds, featuring unique unsaturated valences and radical centres in the ground state, are fundamentally important for understanding the nature of chemical bonds and have potential applications in material science [1] . During the last decade, there has been an increasing interest in the rationalization of how the structural changes stabilize (or destabilize) the diradical system. The tunability of the diradical character has been studied for different structural motifs such as the substitution pattern of lateral groups[2], the elongation of the conjugated core[3] or the molecular isomerism[4], among others. In this sense, we have recently reported an experimental/theoretical study of a family of carbazole-based diradicaloids with dicyanomethylene (DCM) groups incorporated via para (p-Cz and p-ICz) or meta positions (mCz and m-ICz) aiming to investigate how external stimuli impact on the molecular structure and supramolecular organization, and thus on the resulting optical and electronic properties. In addition, we theoretically investigate at the DFT level a set of ten indolocarbazole-based isomers substituted with DCM groups to disclose how their chemical reactivity and physical properties are affected by isomerism and different substitution pattern.es_ES
dc.description.sponsorshipUniversidad de Málaga. Campus de Excelencia Internacional Andalucía Tech. Plan Propio de Investigación de la UMAes_ES
dc.language.isoenges_ES
dc.rightsinfo:eu-repo/semantics/openAccesses_ES
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/*
dc.subjectQuímica -- Congresoses_ES
dc.subject.otherDiradicalses_ES
dc.subject.otherCarbazolees_ES
dc.subject.otherIndolcarbazoles_ES
dc.subject.otherStructural isomerismes_ES
dc.titleCarbazole and indolcarbazole-based systems: impact of the structural changes on the system propertieses_ES
dc.typeinfo:eu-repo/semantics/conferenceObjectes_ES
dc.centroFacultad de Cienciases_ES
dc.relation.eventtitleXVIII Simposio de Investigadores Jóvenes Químicos RSEQes_ES
dc.relation.eventplaceSevillaes_ES
dc.relation.eventdate21/11/2022es_ES
dc.rights.ccAttribution-NonCommercial-NoDerivatives 4.0 Internacional*


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Attribution-NonCommercial-NoDerivatives 4.0 Internacional
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