title: Structure and the catalysis mechanism of oxidative chlorination in nanostructural layers of a surface of alumina.
abstract: On the basis of X-ray diffraction and mass spectrometric analysis of carrier γ-Al2O3 and catalysts CuCl2/CuCl on its surface, the chemical structure of the active centers of two types oxidative chlorination catalysts applied and permeated type of industrial brands "Harshow" and "MEDС-B" was investigated. On the basis of quantum-mechanical theory of the crystal, field complexes were detected by the presence of CuCl2 cation stoichiometry and structure of the proposed model crystal quasichemical industrial catalyst permeated type MEDС-B for oxidative chlorination of ethylene. On the basis of quantum-mechanical calculations, we propose a new mechanism of catalysis crystal quasichemical oxidative chlorination of ethylene reaction for the catalysts of this type (MEDС-B) and confirmed the possibility of such a mechanism after the analysis of mass spectrometric studies of the active phase (H2 [CuCl4]) catalyst oxidative chlorination of ethylene. The possibility of the formation of atomic and molecular chlorine on the oxidative chlorination of ethylene catalyst surface during Deacon reaction was displaying, which may react with ethylene to produce 1,2-dichloroethane. For the active phase (H [CuCl2]), catalyst offered another model of the metal complex catalyst oxidative chlorination of ethylene deposited type (firm 'Harshow,' USA) and the mechanism of catalysis of oxidative chlorination of ethylene with this catalyst.
authors.affiliation: Vasyl Stefanyk Precarpathian National University, Ivano-Frankivsk, Ivano-Frankivsk 76025, Ukraine.
authors.forename: Sergiy A
authors.initials: SA
authors.lastname: Kurta
authors.affiliation: Vasyl Stefanyk Precarpathian National University, Ivano-Frankivsk, Ivano-Frankivsk 76025, Ukraine.
authors.forename: Igor M
authors.initials: IM
authors.lastname: Mykytyn
authors.affiliation: Vasyl Stefanyk Precarpathian National University, Ivano-Frankivsk, Ivano-Frankivsk 76025, Ukraine.
authors.forename: Tetiana R
authors.initials: TR
authors.lastname: Tatarchuk
keywords: Catalyst; Crystalquasychemical model; Differential; Mass spectrum; Mechanism; Oxidative chlorinating; Reaction