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Abstract

<jats:p>In this work presents a theoretical analysis of the composition and structure of model compounds for polya rylene ether ketone (co-PAEK) copolymers and optical studies of these polymers. Computer calculations of the structures were performed using density functional theory (DFT) in the B3LYP/6-31+G(d) approximation. The optical properties of the films were studied using absorption spectroscopy in the ultraviolet and visible ranges. The optical band gap and Urbach energy were estimated from the obtained absorption spectra, and the results were compared with theoretical calculations. The dependence of the energy characteristics of the molecule on the chemical structure and geometry of its functional groups was established.</jats:p>

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optical theoretical structure calculations using

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