Search academic texts

Information × Registration Number 0224U031561, 0122U001819 , R & D reports Title Organically modified and functionalized polyoxometals, oxides and pyrazolates of metals for the processes of catalysis and energy conversion popup.stage_title Head Domasevych Kostiantyn V., Доктор хімічних наук Registration Date 15-05-2024 Organization Taras Shevchenko National University of Kyiv popup.description2 Objects of the study: Synthetic methods toward pyrazole derivatives, crystal structure of organic compounds, ionic compounds and framework coordination polymers, thermal stability of coordination compounds. Aim of the work: To develop and work out methods of synthesis, to obtain and identify pyrazole derivatives; to determine crystal structure of organic compounds, ionic compounds and framework coordination polymers based upon oxo(fluoro) metalates, 1,2,4-triazole and pyrazole ligands; to determine mode of intermolecular interactions in the crystals; to determine thermal stability of new hybrid organic-inorganic materials. Methods of the study: Chemical and physico-chemical methods (microana-lysis, IR, NMR-spectroscopy, X-ray powder diffraction and X-ray crystal structure analysis, differential thermal analysis). New methods of obtaining pyrazole and its derivatives were developed and tested. The methods are optimized with regard to chemical yields, stoichiometry of reagents, temperature regime and duration of processes. The crystallographic parameters were determined by the X-ray structural analysis method and the crystal structures of new compounds were solved and refined, including organic compounds, ionic derivatives of pyrazoles and framework coordination polymers of Cu, Co, Ag based on heterocyclic ligands - derivatives of pyrazole and 1,2,4-triazole, oxofluoride building blocks and oxo(fluoro) metalates (MoVI, WVI, VV, NbV, TaV). We have established features of the coordination geometry, topological and metric characteristics of metal-organic frameworks, the presence and size of crystal micropores, as well as the chemical nature of the micropore surfaces and the presence and configuration of specific centers for interaction with guest molecules. The study reveals new features of the supramolecular structure of molecular adducts based on pyrazoles and trends of the energetics of hydrogen bonds sustained by nitropyrazoles. Product Description popup.authors Lysenko Andrii B. Ponomarova Vira V. Senchyk Hanna A. popup.nrat_date 2024-05-15 Close