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Information × Registration Number 0223U000059, 0120U101622 , R & D reports Title Synthesis, structure and nonlinear optical properties of new copper(I) π-complexes based on allyl derivatives of biologically important heterocyclic compounds popup.stage_title Head Slyvka Yuriy I., Registration Date 01-01-2023 Organization Ivan Franko National University of Lviv popup.description2  Report on Scientific Research: 155 р., 78 Fig., 33 Tab, 76 Ref. Keywords: ALLYL DERIVATIVES, BIOLOGICALLY IMPORTANT HETEROCYCLES, π-COMPLEXES, COPPER(І), CRYSTAL STRUCTURE, NONLINEAR OPTICAL PROPERTIES, ANTI-TUMOR ACTIVITY, SYNTHESIS. Research object: Methods of synthesis, crystal structures of π-coordination compounds of copper(I) with N-, O- and S-allylic derivatives of biologically important heterocyclic compounds and their nonlinear optical properties. Purpose of the work: The purpose of the project is the development of fundamentally new nonlinear optical materials for their potential application in monitoring of different pathological processes. To achieve the goal, it was planned the synthesis of target organic ligands, the development and preparation of crystals of copper(I) π-complexes, the study of their structure and the relationship between the structure of coordination compounds and their physicochemical characteristics in order to optimize the functional properties of the obtained materials. Research methods: synthesis, IR-spectroscopy, NMR-spectroscopy, single crystal X-ray diffraction, quantum-chemical calculations, study of nonlinear optical properties, biological activity studies. The results obtained. A series of allyl-containing organic ligands was synthesized, and basis on them, single crystals of copper(I) π-complexes, both of the halide type and based on various ionic salts of Cu(I) (NO3–, ClO4–, CF3SO3–, NH2SO3–, SiF62– etc.) were obtained by the alternating current electrochemical techniques. A number of heterometallic π-complexes were obtained. Сrystals of rare earth elements-containing Cu(I) π-complexes (based on Eu3+, Nd3+, Pr3+) were obtained for the first time. The crystal structure of the compounds was studied, quantum-chemical calculations were carried out, the effective generation of optical harmonics was revealed, and the prospects of using the synthesized substances as metal-based drugs in anticancer therapy were established. Product Description popup.authors Kordan Vasyl M. Luba Alona Oleksandrivna Oshchapovskyy Ihor V. Pokhodylo Nazariy Tarasovych popup.nrat_date 2023-01-01 Close