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Information × Registration Number 0221U107223, 0120U100122 , R & D reports Title New supramolecular systems based on cyclophanes with fluorenone and benzimidalole fragments. Design, synthesis, structure, perspectives popup.stage_title Head Kuzmin Viktor Ye., Доктор хімічних наук Registration Date 29-12-2021 Organization Physico-Chemical Institute O. Bogatsky National Academy of Sciences of Ukraine popup.description2  The object of research – synthesis and structure of fluorenonophane complexes with different guests. The aim of this work – synthesis of fluorenonophane complexes with different guests, study of their crystal structure, comparison with calculated data. Were obtained 17 complexes of fluorenonophanes, which differ in the position of methylene groups and the method of attachment of benzene rings (p- and m-isomers, respectively) with "guests" of different nature and determined their crystal structure. Depending on the structure of the receptor and the "guest" and the size of the intramolecular cavity, complexes of several types are formed. The receptor with the location of methylene groups near benzene rings in complexes with anisole, thioanisole and dimethylaniline forms complexes in which the guest molecule is located in a pseudo-cavity formed by two neighboring molecules. With pyridine, 4-picoline, phenylacetonitrile, nitrobenzene and dimethylformamide, this receptor forms "classical" inclusion complexes. Solvate is formed with dimethyl sulfoxide. Fluorenonophane with methylene groups in the fluorenone fragment (p-isomer) with the studied "guests" forms mainly "classical" inclusion complexes. A feature of the structure of complexes with haloforms is the presence of C – Cl… π and C – Br… π halogen bonds, the strength of which depends on the nature of the halogen atom and its orientation relative to the aromatic cycle. It is shown that a stronger halogen… π bond is formed with a bromine atom. Fluorenonophane with methylene groups in the fluorenone fragment (m-isomer) due to the small size of the intramolecular cavity forms solvates. The data of X - ray diffraction analysis with the results of molecular modeling were compared. Quantum-chemical calculations of fluorenonophane complexation with guest molecules have been made, which are consistent with most of the data of X-ray diffraction analysis. Product Description popup.authors Ivanov Yuri E. Bogashchenko Tetyana Yu. Grishchuk Lydia V. Kirichenko Tetiana I. Kuzmin Viktor Ye. Kulygina Katerina Yu. Ognichenko Lyudmila М. Pluzhnyk-Gladyr Serhiy M. Stepanov Dmytro Ye Yavolovskyi Arkadii А. Jackovenko Irina S. popup.nrat_date 2022-03-09 Close