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Molecular Tuning in Diaryl-Capped Pyrrolo [2,3-d:5,4-d′] bisthiazoles: Effects of Terminal Aryl Unit and Comparison to Dithieno[3,2-b:2′,3′-d]pyrrole Analogues
dc.contributor.author | Uzelac, Eric J. | |
dc.date.accessioned | 2023-01-30T11:11:14Z | |
dc.date.available | 2023-01-30T11:11:14Z | |
dc.date.issued | 2022-10-03 | |
dc.identifier.citation | Uzelac EJ, Badía-Domínguez I, Gilman SJ, Delgado MCR, Rasmussen SC. Molecular Tuning in Diaryl-Capped Pyrrolo[2,3-d:5,4-d′]bisthiazoles: Effects of Terminal Aryl Unit and Comparison to Dithieno[3,2-b:2′,3′-d]pyrrole Analogues. Molecules. 2022; 27(19):6638. https://doi.org/10.3390/molecules27196638 | es_ES |
dc.identifier.uri | https://hdl.handle.net/10630/25808 | |
dc.description.abstract | A series of six conjugated oligomers consisting of a central pyrrolo[2,3-d:5,4-d′]bisthiazole (PBTz) end-capped with either thienyl, furyl, or phenyl groups have been prepared from N-alkyl-and N-aryl-pyrrolo[2,3-d:5,4-d′]bisthiazoles via Stille and Negishi cross-coupling. The full oligomeric series was thoroughly investigated via photophysical and electrochemical studies, in parallel with density functional theory (DFT) calculations, in order to correlate the cumulative effects of both aryl end-groups and N-functionalization on the resulting optical and electronic properties. Through comparison with the analogous dithieno[3,2-b:2′,3′-d]pyrrole (DTP) materials, the effect of replacing DTP with PBTz on the material HOMO energy and visible light absorption is quantified. | es_ES |
dc.description.sponsorship | This research was funded by MICINN (project PID2019-110305GB-I00) and by Junta de Andalucía (P09FQM-4708 and P18-FR-4559). Partial funding for open access charge: Universidad de Málaga | es_ES |
dc.language.iso | eng | es_ES |
dc.publisher | IOAP-MPDI | es_ES |
dc.rights | info:eu-repo/semantics/openAccess | es_ES |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | * |
dc.subject | Compuestos heterocíclicos | es_ES |
dc.subject.other | Fused-ring heterocycles | es_ES |
dc.subject.other | Pyrrolo[2,3-d:5,4-d 0 ] Bisthiazole | es_ES |
dc.subject.other | Dithieno[3,2-b:2’,3’-d] | es_ES |
dc.subject.other | Pyrrole | es_ES |
dc.subject.other | Structure–function relationships | es_ES |
dc.subject.other | Conjugated materials | es_ES |
dc.title | Molecular Tuning in Diaryl-Capped Pyrrolo [2,3-d:5,4-d′] bisthiazoles: Effects of Terminal Aryl Unit and Comparison to Dithieno[3,2-b:2′,3′-d]pyrrole Analogues | es_ES |
dc.type | info:eu-repo/semantics/article | es_ES |
dc.centro | Facultad de Ciencias | es_ES |
dc.identifier.doi | https://doi.org/10.3390/molecules27196638 | |
dc.rights.cc | Atribución 4.0 Internacional | * |
dc.type.hasVersion | info:eu-repo/semantics/publishedVersion | es_ES |