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Information × Registration Number 0226U003162, (0124U004481) , R & D reports Title Molecular catalysts for electrochemical water splitting based on polychelate and macro(bi)cyclic compounds of non-noble metals popup.stage_title Фізико-хімічні властивості нових координаційних сполук, дослідження їх електрохімічної поведінки Head Ihor O. Frytskyi, Доктор хімічних наук Registration Date 19-03-2026 Organization Taras Shevchenko National University of Kyiv popup.description1 To create new highly efficient homogeneous and applied catalysts for the reactions of electrochemical reduction of water with the release of hydrogen (hydrogen evolution reaction, HER) and oxidation of water with the release of oxygen (water oxidation, reaction, WOR) based on thermodynamically stable and kinetically inert polychelate, macrocyclic and macrobicyclic complexes of transition metals 3d-row (Mn, Fe, Co, Ni, Cu). To establish a relationship between the features of their molecular structure, the nature of metal ions, physicochemical (spectral, magnetic, electrochemical) parameters and electrocatalytic efficiency in order to improve functional characteristics and develop, on this basis, a strategy for creating a new generation of highly efficient catalysts for the electrochemical production of hydrogen and oxygen from water. popup.description2 The work carried out during the reporting period was focused on the in-depth study of the physicochemical properties of new coordination compounds of non-noble metals, particularly manganese, iron, copper, cobalt, and nickel. The synthesized coordination compounds were characterized using a combination of analytical, structural, and physicochemical methods. A primary analysis of the electrochemical behavior of a series of transition metal complexes was conducted to identify their capacity for multi-electron redox transitions and potential electrocatalytic activity. The synthesized compounds were investigated using elemental analysis, mass spectrometry, IR, UV-Vis, and NMR spectroscopy. HS analysis included the calculation of key molecular descriptors, such as molecular volume, surface area, globularity, and asphericity, which reflect the compactness and shape of the complexes in the crystal. It was established that interactions involving hydrogen atoms make the main contribution to the stabilization of the crystal structure. The molecular and crystal structures of fifteen of them were determined by X-ray diffraction analysis. The electrocatalytic activity in the water oxidation reaction was proven for a number of the synthesized complexes, particularly for manganese(IV), iron(IV/V), copper(III), and nickel(III). The obtained compounds demonstrated a reduction in overpotential by hundreds of millivolts compared to typical materials, which opens the way for the development of effective and inexpensive molecular electrocatalysts based on non-noble metals. Reversible redox transitions were proven, ensuring the stability of catalysis under conditions of prolonged electrolysis. The results obtained lay the foundation for the creation of new-generation electrode materials for hydrogen electrolyzers and fuel cells. This research contributes to the further development of fundamental and applied aspects of catalysis, materials science, and hydrogen energy. Product Description popup.authors Plutenko Maksym O. Serediuk Maksym L. Kucheriv Olesia I. Vynohradov Oleksandr S. popup.nrat_date 2026-03-19 Close