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Information × Registration Number 0214U002694, 0112U004687 , R & D reports Title Structure and reactivity of initiators and inhibitors of radical-chain proceses of organic compounds oxidation and polymerization popup.stage_title Head Mykhalchuk Volodymyr Mykhajlovych, Registration Date 24-01-2014 Organization Donetsk National University popup.description2 The object of study - reaction of hydroperoxide compounds (ROOH) decomposition in the presence of tetraalkylammonium bromides and Cu (II) 1,10-phenanthrolinates; symmetric derivatives of benzoyl peroxide. The purpose of investigation - is to find a relationship between the structure of organic hydroperoxide compounds and their reactivity in the reaction of catalytic decomposition in the presence of tetraalkylammonium bromides and Cu (II) 1,10-phenanthrolinates. Assessment of DFT and semi-empirical quantum chemistry methods for reproduction and prediction of diacyl peroxides IR spectra. Research methods - iodometric - for the hydroperoxides kinetic concentration determination and controlling the processes of their thermal and catalytic decomposition; argentummetric - to determine the kinetic concentration of quaternary ammonium bromide in the reaction mixture, 1H NMR spectroscopy - to study the complex formation between hydroperoxide and tetraalkylammonium bromides; quantum chemical - to study the influence of tetraalkylammonium bromides on the molecular geometry and electronic structure of hydroperoxides as well as for molecular modeling of IR spectra of symmetrical derivatives of benzoyl peroxide. The kinetics of the aralkyl hydroperoxides decomposition in acetonitrile i. Kinetic and 1H NMR - spectroscopic studies proved two-stage decomposition of hydroperoxides in the presence of bromide tetraetylammonium: complex formation and complex bonded hydroperoxide decomposition. It is shown that Cu (II) 1,10 - phenanthrolinates exhibit catalytic properties in the reaction of isopropylbenzene hydroperoxide decomposition in the water - ethanol mixture. Reactivity of CuX2 - 1,10 - phenanthroline depends on the nature of the anion salt. Associative interaction of hydroperoxides with tetraalkylammonium bromides has been studied by quantum chemical methods. The structure of the reactive complex hydroperoxide - catalyst has been proposed. IThere is a linear dependence between the frequencies of normal vibrations in experimentally obtained and calculated (PM6, PDDG and AM1) IR spectra of the benzoyl peroxide. Product Description popup.authors Берестнєва Юлія Василівна Дятленко Лев Михайлович Пастернак Олена Миколаївна Ракша Олена Володимирівна Туровський Микола Антонович popup.nrat_date 2020-04-02 Close