RUS  ENG
Full version
JOURNALS // Zhurnal Srednevolzhskogo Matematicheskogo Obshchestva // Archive

Zhurnal SVMO, 2013, Volume 15, Number 4, Pages 111–116 (Mi svmo427)

In Middle Volga Mathematical Society

Sensitivity analysis to changes in the kinetic curves of the reaction rate constants for the reaction of olefins hydroalumination

O. Y. Zabeivorotaa, E. Y. Pankratyevb, I. M. Gubaydullinc

a Bashkir State University, Ufa
b Institute of Organic Chemistry, Ufa Scientific Centre of RAS
c Institute of Petrochemistry and Catalysis of RAS

Abstract: 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 ¹ 12-07-00324-a and ¹ 13-03-00201-a)

Keywords: nitroso oxydes, quantum- chemical calculations, nuclear- independent chemical shift, DFT- method.

UDC: 517.9



© Steklov Math. Inst. of RAS, 2024