|
|||||
|
|
Kinetics of oxidation of benzyl alcohols with molecular oxygen catalyzed by N-hydroxyphthalimide: Role of hydroperoxyl radicals |
|
| Authors: | I A Opeida R B Sheparovych Yu M Hrynda O Yu Khavunko M O Kompanets A N Shendryk |
| Institution: | 1. Department of Physical Chemistry of Fossil Fuels InPOCC, National Academy of Sciences of Ukraine, Lviv, Ukraine;2. L. M.Litvinenko Institute 3. of Physical Organic and Coal Chemistry, National Academy of Sciences of Ukraine, Kyiv, Ukraine
National Technical University of Ukraine “Igor Sikorsky Kyiv Polytechnic Institute”, Kyiv, Ukraine;4. Vasyl’ Stus Donetsk National University, Vinnytsia, Ukraine |
| Abstract: | A kinetic study of the initiated oxidation of benzyl alcohol and cumene by molecular oxygen was performed. The oxidation rate was more enhanced with N-hydroxyphthalimide (NHPI) in the case of cumene than that of benzyl alcohol. HOOH inhibits cumene oxidation and does not affect the rate of oxidation of benzyl alcohol. It was shown that termination chain reactions of phthalimid-N-oxyl radicals (PINO?) does not occur with RОО? and proceeds with HOO?. A kinetic scheme of the process and an equation describing the kinetics of oxidation of benzyl alcohol in the presence of NHPI are proposed. Using the PM7 method, the thermodynamic characteristics of elementary steps of oxidation explaining the obtained results were calculated. |
| Keywords: | benzyl alcohol catalysis cumene hydrogen peroxide hydroperoxyl radical inhibitor liquid-phase oxidation N-hydroxyphthalimid PM7 method |