Sensitivity analysis to changes in the kinetic curves of the reaction rate constants for the reaction of olefins hydroalumination.
O. Y. Zabeivorota1, E. Y. Pankratyev2, I. M. Gubaidullin3
| Annotation | As known that the aromatic nitroso oxydes , intermediates of photochemical oxidation of aromatic azides by oxygen have two isomeric forms - trans ( 4) and cis-( 5). In thermal conditions, these forms quickly perish under the kinetic law of reaction of the first order. It is established that the ArNOO trans –isomer to cis isomerization. In turn, the last undergoes unusual reaction of cyclization of terminal atom of oxygen under the orto-provision of an aromatic cycle with the subsequent monomolecular disintegration of a being formed bicycle (6). Work will be executed with financial support of the Russian Federal Property Fund (a grant of the Russian Federal Property Fund № 12-07-00324-a and № 13-03-00201-a) |
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| Keywords | nitroso oxydes, quantum- chemical calculations, nuclear- independent chemical shift, DFT- method |
1Fourth year student at the Department of mathematical modelling, Bashkir State University, Ufa; Zabeivorota.olga@gmail.com.
2Research associate, Institute of Organic Chemistry, Ufa Scientific Center of the Russian Academy of Sciences, Ufa; paneyu@gmail.com
3Senior Research Associate in the Laboratory of Mathematical Chemistry, Institute of petrochemistry and catalysis of the Russian Academy of Sciences, Ufa; IrekMars@mail.ru.
Citation: O. Y. Zabeivorota, E. Y. Pankratyev, I. M. Gubaidullin, "[Sensitivity analysis to changes in the kinetic curves of the reaction rate constants for the reaction of olefins hydroalumination.]", Zhurnal Srednevolzhskogo matematicheskogo obshchestva,15:4 (2013) 111–116 (In Russian)
