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Information × Registration Number 0225U000682, (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 Синтез та ідентифікація нових координаціних сполук Head Ihor O. Frytskyi, Доктор хімічних наук Registration Date 15-01-2025 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 fundamental task of the project is to develop new functional materials for electrocatalytic water splitting based on coordination compounds of transition 3d-metals with tailored or tunable redox and catalytic properties. The control of their functional activity is achieved by applying the principles of molecular design, peripheral covalent functionalization of ligands, and allosteric regulation using redox-indifferent regulatory metal ions, followed by correlations between the features of their molecular structure, physicochemical, and functional characteristics. New coordination compounds of open-chain, macrocyclic, and clathrochelating types will be obtained, in which effective thermodynamic stabilization of unusually high and low oxidation states of metals is achieved, combined with high thermodynamic stability and kinetic inertness, and which can act as highly efficient electrocatalysts for water splitting, both for cathodic hydrogen evolution and anodic oxygen evolution. The object of research is coordination compounds of transition metals of open-chain, macrocyclic, and clathrochelating types, in which effective thermodynamic stabilization of unusually low and high oxidation states of metals is achieved, making them highly efficient electrocatalysts for water splitting. The subject of research is the processes of obtaining and the physicochemical properties of coordination compounds of transition metals based on oximate, amide, and hydrazide ligands, their chemical composition, molecular and crystal structure, spectral, magnetic, electrochemical properties, and their catalytic activity in electrochemical water splitting reactions. Product Description popup.authors Vynohradov Oleksandr S. Kucheriv Olesia I. Plutenko Maksym О. Serediuk Maksym L. popup.nrat_date 2025-01-15 Close