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Information × Registration Number 0223U005872, 0123U103143 , R & D reports Title Impact of an additional photoactive group in azo-compounds on the nature of nonlinear optical responses of polymer composites popup.stage_title Head Ovdenko Valeriia M., Кандидат хімічних наук Registration Date 31-12-2023 Organization Institute of Physics of National Academy of Sciences of Ukraine popup.description2 Object of study – azo-compounds with one or several photochrome azo-groups as materials for creating polymer composites with high nonlinear optical response. Purpose of the project – to determine influence of the azo compounds structure on the magnitude of nonlinear optical response in polymer films. Research methods – modeling using quantum chemical methods, structure research using NMR and IR spectroscopy, UV spectroscopy, elastic light scattering. During project’s first stages 3 model azo-molecules were chosen – two industrial azo dyes and one analogue synthesized by the performers. The goal was to determine how the presence/absence and position of nitrogen in the aromatic ring would affect properties such as photoinduced isomerization in solution and in films, as well as continuous wave laser scattering losses and nonlinear optical susceptibilities. For preliminary theoretical assessment quantum chemical modelling was carried out, which involved optimization of the geometry for both possible isomers, trans- and cis, of each of the azo-naphthols. Further modelling helped to determine the theoretical values of static hyperpolarizabilities. Scientifically significance lies in the implementation of the approach to the advanced diagnostics of azo-sulfides using quantum-chemical investigations combined with experimental verification of theoretical data to formulate fundamental patterns for forming structures with maximum values of nonlinear-optical susceptibilities. Practical importance is due to necessity for preliminary assessment of the perspective of the component parts of materials for the needs of nonlinear optics using fast and cheap methods to prevent the need to conduct expensive experiments. The social orientation of the research consists in the possibility of developing a number of criteria for speeding up and cheapening the creation of polymer materials for nonlinear optics and optoelectronics. Product Description popup.authors Komarenko Dmytro O. Ovdenko Valeriia M. popup.nrat_date 2023-12-31 Close