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dc.contributor.authorCárdenas Valdivia, Abel
dc.date.accessioned2019-09-12T08:26:55Z
dc.date.available2019-09-12T08:26:55Z
dc.date.created209
dc.date.issued2019-09-12
dc.identifier.urihttps://hdl.handle.net/10630/18326
dc.descriptionComunicación a congreso en forma de pósteren_US
dc.description.abstractThe importance of antiaromatic molecules in Chemistry and more recently in material science is rising. In the particular case of applications in electronics, the antiaromatic skeleton offers the favourable situation of high energy (i.e., strong destabilization) occupied molecular orbitals allowing to ease oxidation, doping or electron transfer to form conductive and photo-active substrates. Furthermore these systems show intriguing characteristics, such as paratropic ring current and π –bond localization, opposite the characteristics expected from aromaticity[1]. In this contribution, we will show new recently synthesized polycyclic compounds based on fused antiaromatic bis-phenylene which have resulted to be stable enough to be spectroscopically characterisable[2],[3]. We study two different isomer such as shown in Figure 1, either with linear arrangement of the rings or with angular disposition. The research is based on the study of neutral and oxidized species of the two molecules. Oxidation was carried out by electrochemistry and the generated species were analyzed by UV-Vis-NIR absorption spectroscopy. On the other hand, the redox forms were formed by chemical oxidation on which the Raman spectra were also obtained. All results are interpreted and guided theoretically through the use of DFT quantum chemical calculations. We conclude that oxidation generates the radical cation and the dication species which have completely different electronic and molecular structures which are in consonance with the varying degree of antiaromatic character. Stable cations and dications of antiaromatic molecules are scarce and therefore unexplored. We contribute to this knowledge by studying these in oligomers of biphenylene.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.subjectEstructura electrónicaen_US
dc.subject.otherelectronic structure raman spectroscopy antiaromatic moleculesen_US
dc.titleStabilization of antiaromatic skeletons in oxidized biphenylene oligomersen_US
dc.typeinfo:eu-repo/semantics/conferenceObjecten_US
dc.centroFacultad de Cienciasen_US
dc.relation.eventtitleFirst International Conference on Excited State Aromaticity and Antiaromaticity – ICESAAen_US
dc.relation.eventplaceSigtuna (Suecia)en_US
dc.relation.eventdate28 julio 2019 a 3 agosto de 2019en_US


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