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dc.contributor.authorCasado-Cordon, Juan 
dc.date.accessioned2019-01-08T12:19:47Z
dc.date.available2019-01-08T12:19:47Z
dc.date.created2018
dc.date.issued2019-01-08
dc.identifier.urihttps://hdl.handle.net/10630/17125
dc.description.abstractSeveral series of aromatic and quinoidal compounds, such as oligothiophenes (Scheme 1), oligophenylene-vinylenes, oligoperylenes (oligophenyls) and graphene nanoribbon derivatives, are studied in the common context of the capability to stabilize diradical structures. [1,2,3,4]. In this work, we try to clarify how several driving forces (i.e., thermodynamic and entropic) are responsible for the generation of diradical and diradicaloid structures. A combination of different types of molecular spectroscopies (i.e., electronic absorption, electronic emission, excited state absorption, vibrational Raman, vibrational infrared, etc.) as well as hybridized with thermal and pressure-dependent techniques are shown to provide important information about the origin of the formation and stabilization of diradicals. From a conceptual point of view, we analyze these properties in the context of the oligomer approach which is the study of the evolution of these spectroscopic quantities as a function of the oligomer size. References [1] P. Mayorga Burrezo, J.L. Zafra, J. Casado. Angew. Chem. Int. Ed., 2017, 56, 2250. [2] J. Casado, R. Ponce Ortiz, J. T. Lopez Navarrete, Chem. Soc. Rev. 2012, 41, 5672. [3] P. Mayorga Burrezo, X. Zhu, S. F. Zhu, Q. Yan, J. T. Lopez Navarrete, H. Tsuji, E. Nakamura, J. Casado, J. Am. Chem. Soc. 2015, 137, 3834-3843. [4] J. Casado, Para-quinodimethanes: A unified review of the quinoidal-versus-aromatic competition and its implications. Top. Curr. Chem. 2017, 375, 73.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/4.0/*
dc.subjectEnergía mecánicaen_US
dc.subject.otherHydrocarbon compoundsen_US
dc.subject.otherRaman spectroscopyen_US
dc.subject.otherAromaticityen_US
dc.titleDiradicals and their driving forcesen_US
dc.typeinfo:eu-repo/semantics/conferenceObjecten_US
dc.centroFacultad de Cienciasen_US
dc.relation.eventtitleAromaticity2018en_US
dc.relation.eventplaceCancún, Méxicoen_US
dc.relation.eventdate28/11/2018 a 1/12/2018en_US
dc.rights.ccAtribución 4.0 Internacional*


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