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Information × Registration Number 0221U101273, 0120U102660 , R & D reports Title Functional materials for biomedical purposes based on halogen-containing organic compounds popup.stage_title Head Semynozhenko Volodymyr P., Доктор фізико-математичних наук Registration Date 18-01-2021 Organization State Scientific Institution Scientific and Technological Complex" Institute of Single Crystals "of the National Academy of Sciences of Ukraine popup.description2  Research Report (intermediate): 59 pages, 6 figures, 16 schemes, 34 references. The purpose of stage № 1 of the work: development of synthetic approaches and schemes for obtaining halogen-containing organic compounds, their use in further transformations and syntheses, as well as procedures for isolation and purification of target compounds. Structural and quantum chemical studies of halogen-containing organic compounds and products of their transformation; study of intermolecular interactions with the participation of halogen atoms. Effective methods for the synthesis of halogenated partially hydrogenated azolopyrimidines having a nodular nitrogen atom have been developed. Studies related to the synthesis of p-terphenyldicarboxylic acid diesters have shown that under the conditions of the Suzuki (2,3-difluoro-1,4-phenylene) ¬diboric acid reaction, in contrast to its non-fluorinated analogue, it undergoes protodeboration by one degree , than reacts cross-coupling with the corresponding aryl halides; intermediates containing a lactate moiety, when interacting with lithium diisopropylamide, are primarily deprotonated in the lactate moiety; Therefore, it is possible to obtain p-terphenyldicarboxylic acid diesters with lateral fluorine atoms in the central benzene ring of the terphenyl nucleus only by cross-coupling of the corresponding boric acid esters with 2,3-difluoro-1,4-diiodobenzene. The influence of halogen on the molecular and crystalline structure was studied by the example of supramolecular complexes by the methods of X-ray diffraction analysis and quantum chemistry. It is shown that fluorine atoms affect the electronic structure of the molecule, but almost do not participate in the formation of intermolecular interactions. In contrast, halogen bonds involving chlorine and bromine atoms can be quite strong and equal in energy to the stacking interaction. In the case of a complex of fluorenonophane with bromoform, the halogen bond forms the building block Product Description popup.authors popup.nrat_date 2021-01-18 Close