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Inhibition by Hydrogen Peroxide in the Radical Chain Oxidation of Hydrocarbons by Molecular Oxygen
Theoretical and Experimental Chemistry ( IF 0.7 ) Pub Date : 2019-03-01 , DOI: 10.1007/s11237-019-09593-7
I. A. Opeida , R. B. Sheparovych

Inhibition by hydrogen peroxide in the radical chain aerobic oxidation of alkylarenes is reported. A kinetic scheme for this process and an equation describing the oxidation kinetics of an alkylarene in the presence of HOOH are presented. The inhibitory effect of H2O2 was found to decrease with increasing rate constant of the chain termination step by peroxyl radicals of thesubstrate undergoing oxidation. The PM7 method was used to calculate the thermodynamic characteristics of the elementary reaction steps accounting for the observed results.

中文翻译:

过氧化氢对分子氧自由基链氧化碳氢化合物的抑制作用

报道了过氧化氢在烷基芳烃的自由基链有氧氧化中的抑制作用。提出了该过程的动力学方案和描述烷基芳烃在 HOOH 存在下的氧化动力学的方程。发现H 2 O 2 的抑制作用随着由进行氧化的底物的过氧自由基引起的链终止步骤的速率常数的增加而降低。PM7 方法用于计算基本反应步骤的热力学特性,以解释观察到的结果。
更新日期:2019-03-01
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