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Information × Registration Number 0219U000887, 0117U004136 , R & D reports Title Prediction, molecular design and new coordination compounds metals of II and III groups the Periodic system directed synthesis with given optical properties. popup.stage_title Head Kamalov G.L., Registration Date 13-03-2019 Organization A.V. Bogatsky, Physico-Chemical Institute of the National Academy of Sciences of Ukraine popup.description2 Synthesis of number substituted by lower rim p-tert-butylcalyx[4]arene derivatives, containing N-methoxycarbonyl-monoaz-12-crown-4-ethers fragments were done. Assessment of extraction properties of synthesized compounds relative picrates of some transition metals was carried out by extraction method. liquid-liquid. Effect of azacrown-ether substituents on coordinating and spectral properties of p-tert-butyl calix[4]arene and DBICE derivatives, also lanthanide complexes on their based, was investigated. Typical 4f-luminescence in visible and near-IR regions is observed only for Eu(III), Tb(III) and Yb(III) complexes, whose quantum yields are 0.018-0.024; 0.212-0.452 and 0.0019-0.0042, respectively. Maximum 4f-luminescence values are observed for complexes with disubstituted 12-azacrown-4-ether calix[4]arena and DBICE derivatives. Solubility of lanthanides fluorides LnF3 from LaF3 to LuF3 in salt melt of NaCl-KCl based on concept of acidity-basicity and thermodynamic calculations of exchange reactions between solute and solvent was carried out. Method of chemical analysis for experimental determination of Ln3+ and F- ions content in salt melt and LnF3 was developed. Nanoscale (10-70 nm) Al2O3, activated with manganese ions (Mn3+), was obtained by combustion method. It was shown, that part of Mn ions is in +2 oxidation state and occupies tetrahedral positions in Al2O3, causing wide luminescence band with maximum at ~ 520 nm. Systematized data about methods for obtaining dibenzimidazo-crown ethers (DBICE) based on bis-(benzimidazolyl-2)-alkanes. Preparative methods have been developed for synthesis of homologous DBICE series, which differ in number of donor centers and in varying cavity sizes. Achieved a number of prototypes DBICE. Based on information gather relative melting temperatures and refractive indices n (at light wavelengths: ? = 589.3 nm, ? = 550 nm and ? = 2500 nm), inorganic compounds of various classes by non-linear Random Forest method using 1D descriptors are constructed QSPR models with adequate statistical indicators regarding quality of forecasting - R2(oob). = 0.87 - 0.90; R2(ts) = 0.68-0.94. Product Description popup.authors Єрьомін О.Г. Іванов Ю.Е. Алєксєєва О.О. Антонович В.П. Березовська І.В. Дога П.Г. Доценко В.П. Зінченко В.Ф. Камалов Г.Л. Кириченко Т.И. Коровін А.Ю. Кузьмін В.Є. Кулигіна К.Ю. Огніченко Л.М. Русакова Н.В. Семенішин М.М. Смола С.С. Снурнікова О.В. Стоянова И.В. Хоменко О.В. Чіхічін Д.Г Чивирева Н.А. popup.nrat_date 2020-04-02 Close