Electronic structure and optical properties of poly[3‐(4‐octylphenoxy)thiophene]: Experimental and theoretical studies |
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Authors: | Farid Ouhib Ahmed Dkhissi Pierre Iratçabal Roger C Hiorns Abdel Khoukh Jacques Desbrières Claude Pouchan Christine Dagron‐Lartigau |
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Institution: | 1. IPREM CNRS UMR 5254, Equipe de Physique et Chimie des Polymères, Université de Pau et des Pays de l'Adour, Helioparc 2 avenue du Président Angot, 64053 PAU cedex 9, France;2. IPREM CNRS UMR 5254, Equipe de Chimie‐Physique, Université de Pau et des Pays de l'Adour, Helioparc 2 avenue du Président Angot, 64053 PAU cedex 9, France |
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Abstract: | This article reports the synthesis and characterization of a new polythiophene derivative phenoxy‐substituted, the poly3‐(4‐octylphenoxy)thiophene] (POPOT). The oxidative polymerization was found to yield low molecular weight material, whereas a modified Grignard metathesis (GRIM) yielded polymers of high molecular weights. One‐ and two‐dimensional NMR indicated the latter to be highly regioregular. POPOTs exhibited higher thermal stabilities than equivalent alkoxy‐substituted polythiophenes and exhibited red shifts in the absorption spectra with respect to equivalent. The absorption spectra showed a red shifted λmax at 540 nm in tetrahydrofuran solutions and 580 nm in spin‐coated films, with respect to poly(3‐alkylthiophene)s. A further red shift of 40 nm in going from solution (540 nm) to solid states (580 nm) is correlated with results from density functional theory electronic structure calculations. © 2008 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 46: 7505–7516, 2008 |
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Keywords: | calculations conjugated polymers density functional calculations GRIM photoactive polymers poly[3‐(4‐octylphenoxy)thiophene] polythiophene UV– vis spectroscopy |
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