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Information × Registration Number 0225U000718, (0122U200071) , R & D reports Title Crystal structure of functional materials: principles and regularities popup.stage_title Кристалічна будова функціональних матеріалів: принципи та закономірності Head Shyshkina Svitlana V., к.х.н. Registration Date 16-01-2025 Organization State Scientific Institution Scientific and Technological Complex" Institute of Single Crystals "of the National Academy of Sciences of Ukraine popup.description1 Study of the crystal structure of different types of compounds that can be used as functional materials, identification of structural features that affect the properties of the material. popup.description2  The project is aimed at studying the crystal structure of various types of compounds that can be used as functional materials, identifying structural features that affect the properties of the material. As result of the work, information was obtained for the first time about the molecular and crystal structure of functional materials of various types and purposes and the influence of the established structural features on the physicochemical and mechanical characteristics and biological activity was analyzed. Systematic structural research of certain classes of functional materials is relevant and creates not only fundamental knowledge, but also a platform for further applied developments. Analysis of a large number of organic compounds and systematization of the obtained data provides fundamental knowledge about the principles of formation of various types of intermolecular interactions and molecular crystals in general, which develops approaches to supramolecular chemistry. The study of dyes by experimental and quantum-chemical methods allows us to form a fundamental conclusion regarding the influence of the environment on the degree of delocalization of electron density in conjugated systems. The topic performed is fundamental in its essence, but the knowledge obtained will be used for further applied developments. For example, the study of new crystalline forms and polymorphic modifications of active pharmaceutical substances (amizone (4-[(benzylamino)carbonyl]-1-methylpyridinium iodide), 6-methyluracil, theophylline) is practically significant for pharmaceutical production and the obtained data are used in the process of technological development, which will improve the quality of the final product and will be used to optimize production processes. Product Description popup.authors Baumer V'iacheslav M. Vaksler Yevhenii O. Diakonenko Viktoriia V. Zhykol Oleh A. Konovalova Iryna S. Lebedynskyi Oleksii M. Monastyrska Liudmyla A. Irynа V. Omelchenko Sidenko Oleksandr O. Sanin Volodymyr F. Teplytska Tetiana S. Tokariev Viktor V. Fedorov Oleksandr H. Shaposhnyk Anna M. Shyshkina Svitlana V. Shtytelman Viktor A. Shсherbakova Tetiana V. popup.nrat_date 2025-01-16 Close