A combined experimental and theoretical study on vibrational and optical properties of copolymer incorporating thienylene-dioctyloxyphenyle-thienylene and bipyridine units
S. Ayachi
Unité de Recherche, Matériaux Nouveaux et Dispositifs Electroniques Organiques, Faculté des Sciences, Université de Monastir, 5000 Monastir, Tunisie
Search for more papers by this authorS. Ghomrasni
Unité de Recherche, Matériaux Nouveaux et Dispositifs Electroniques Organiques, Faculté des Sciences, Université de Monastir, 5000 Monastir, Tunisie
Search for more papers by this authorCorresponding Author
K. Alimi
Unité de Recherche, Matériaux Nouveaux et Dispositifs Electroniques Organiques, Faculté des Sciences, Université de Monastir, 5000 Monastir, Tunisie
Unité de Recherche, Matériaux Nouveaux et Dispositifs Electroniques Organiques, Faculté des Sciences, Université de Monastir, 5000 Monastir, Tunisie===Search for more papers by this authorS. Ayachi
Unité de Recherche, Matériaux Nouveaux et Dispositifs Electroniques Organiques, Faculté des Sciences, Université de Monastir, 5000 Monastir, Tunisie
Search for more papers by this authorS. Ghomrasni
Unité de Recherche, Matériaux Nouveaux et Dispositifs Electroniques Organiques, Faculté des Sciences, Université de Monastir, 5000 Monastir, Tunisie
Search for more papers by this authorCorresponding Author
K. Alimi
Unité de Recherche, Matériaux Nouveaux et Dispositifs Electroniques Organiques, Faculté des Sciences, Université de Monastir, 5000 Monastir, Tunisie
Unité de Recherche, Matériaux Nouveaux et Dispositifs Electroniques Organiques, Faculté des Sciences, Université de Monastir, 5000 Monastir, Tunisie===Search for more papers by this authorAbstract
Optical properties of conjugated copolymer incorporating thienylene-dioctyloxyphenyle-thienylene and bipyridine units prepared by Stille coupling reactions in the ground and lowest singlet excited states were calculated with Time Dependent Density Functional Theory (TD-DFT), CIS/3-21G*, and semiempirical (ZINDO) methods. The complementarities and the good agreement between theoretical and experimental results have permitted us to describe electronic structure and to predict a correlation between structure and properties of this new copolymer. Then, on the basis of these results, we show that this copolymer could be exploited as an active layer in optoelectronic devices. © 2011 Wiley Periodicals, Inc. J Appl Polym Sci, 2012
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