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Uzelac, Eric J. 2023-01-30T11:11:14Z 2023-01-30T11:11:14Z 2022-10-03 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 https://hdl.handle.net/10630/25808 https://doi.org/10.3390/molecules27196638 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. eng http://creativecommons.org/licenses/by/4.0/ open access Atribución 4.0 Internacional Compuestos heterocíclicos 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 journal article