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Information × Registration Number 0221U102495, 0118U002025 , R & D reports Title Organic modifiers, ion-molecular systems for new materials in analytical and electrochemical use popup.stage_title Head Ivanov Volodymyr V, Registration Date 04-02-2021 Organization V.N. Karazin Kharkiv National University popup.description2  Objects of research - organosilicon materials, methods of design and investigations of organic compounds and high-tech materials (organosilicon hybrids, thermally stable chemically modified organic polymers, ion-molecular electrolyte systems); solvation effects and spectral properties of indoline dyes; physicochemical properties of organic compounds, QSAR regression models; local structure of imidazolium ionic liquids; spectral properties of conjugate systems. The subject of research - absorption spectra of indoline dyes; QSAR regression models, structure-activity relationship methods. Methods of synthesis of modifiers and modified organosilicon materials. Results of quantum chemical calculations of indoline dyes and molecular dynamic modeling of imidazolium ionic liquids. Synthesis of modified silica. Parameters of protolytic equilibria in the surface layer of modified silica. The purpose of the work is the synthesis of photoactive systems, the investigation of the influence of the solvation effects on electronic transitions in indoline dyes; development of a software package that implements various statistical models for building of adequate QSAR models; synthesis of 2-substituted diethyl-2- (3- (triethoxysilyl) propyl) aminomethylphosphonates; synthesis of N (phosphonoatoalkyl) propyl silica which are promising adsorbents d-elements ions; investigation of protolytic equilibria on the silica surface; determination of the structural, spectral, sorption, etc. characteristics of organic modifiers and ion-molecular systems and materials based on them; creation of electrochemical sensors, ion exchange and sorption polymers based on new materials. Investigation of the microscopic structure and dynamics of disordered condensed systems. Molecular modeling of ion-molecular and ion-ion complexes, ionic liquids and ion-molecular systems by means of quantum chemistry and molecular dynamics. Product Description popup.authors Ivanov Volodymyr V. V`unnik Ivan M. Doroshenko Andriy O. Kalugin Oleg M Kolesnik Yaroslav V. Kolosov Maksim O. Panteleimonov Anton V. Chernozhuk Tetiana V popup.nrat_date 2021-02-04 Close