EXPERIMENTAL AND QUANTUM CHEMICAL INVESTIGATION OF NEW ELECTROLUMINESCENT MATERIAL BASED ON THIOPHENE, PHENYLENE AND ANTRACENE
Journal Title: Analele Universitatii din Bucuresti. Chimie - Year 2010, Vol 19, Issue 1
Abstract
In this paper, we first report, the synthesis and physical properties of a recent soluble polymer based on thiophene, phenylene and antracene. Then, we present a detailed DFT study based on B3LYP/6-31G* of geometrical structures and electronic properties of this copolymer. Calculated results are compared with experimental data and based on such comparison. We try first, to propose an oligomer model, and then to obtain a qualitative understanding of the properties of copolymer.
Authors and Affiliations
M. Bouachrine, O. Benaqqa, H. Toufik, J. -P. Lère-Porte, F. Serein-Spirau, A. Amine
Keywords
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