from first principles PP-I-1

PP-III-24The Study of Adsorption of Benzene by IR SpectroscopyDossumov K., Tungatarova S.A., Yergazyeva G.Y.Kazakh National University of Al-Farabi «Center of Physical-Chemical Methods ofInvestigation and Analysis», Almaty, Kazakhstandossumov50@mail.ruOne of the main factors determining the scientific and technical progress in the petrochemicalindustry is the creation a high-performance methods of catalytic transformations ofhydrocarbons. Вut the solution of this important problem is impossible without a detailed andcomprehensive study of the mechanisms of catalytic processes.In this paper studied the adsorption of benzene on 20%V 2 O 5 -5%MoO 3 -2%P 2 O 5 /TiO 2 catalystat the optimum reaction temperature was studied by IR spectroscopy method. The absorptionbands at 3050, 3130, 3180 cm -1 were observed during the adsorption of benzene at 643K inthe IR spectra. This group of bands belongs to the valence vibrations of C-H bonds, and a.b.at1500 cm -1 - to the vibration of ν (CC) bond. Intense absorption in the spectra of benzene,located in the region below 900 cm -1 belongs to deformation vibrations of the C-H ofaromatic ring (680 cm -1 ). A.b. at 1390 cm -1 observed in the spectrum of adsorbed benzene,according to [1, 2], shows the formation of π-complex for the adsorbed benzene.Thus, the adsorption of benzene from 20%V 2 O 5 -5%MoO 3 -2%P 2 O 5 /TiO 2 catalyst occurs withthe deformation of the molecule and the loss of aromatic character of the benzene moleculedue to localization of double bonds (1500-ν (C = C) with forming of π-complex. Thus, theadsorption of benzene on the 20% V 2 O 5 -5% MoO 3 -2% P 2 O 5 /TiO 2 catalyst occurs with thedeformation of the molecule of benzene and the loss of aromatic character by localizingdouble bonds (1500-ν (C = C) with the formation of π-complex. Disturbance of thea.b. 680 cm -1 shows that benzene is adsorbed flatly on the surface of the catalyst and reactswith the acid centers [3].References:[1] А.А. Davydov, M.L. Shepot’ko, Teoreticheskaja i experimentalnaja khimija. №6 (1990) 710.[2] А.А. Davydov, Kinetika i kataliz 34 (1993) 1056.[3] P.P. Zanozina, D.V. Sokolsky, B.Zh. Zhanabaev, Alma-Ata: Nauka (1985) 20.176