2002Chemical CommunicationsRequires access

Mechanism of direct oxidation of cyclohexene to cyclohexanone with nitrous oxide. Theoretical analysis by DFT method

V. I. Avdeev, Sergey Ph. Ruzankin, G. M. Zhidomirov

Open publisher page 33 citations

Abstract

New very effective results on the liquid-phase oxidation of cyclohexene to cyclohexanone by nitrous oxide are analyzed using the B3LYP/6-31G* approximation to predict a two-step reaction mechanism correlated with the experimental data.

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What this paper is about

New very effective results on the liquid-phase oxidation of cyclohexene to cyclohexanone by nitrous oxide are analyzed using the B3LYP/6-31G* approximation to predict a two-step reaction mechanism correlated with the experimental data.

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OpenAlex reports 33 citations for this work. Citation counts describe recorded attention and do not establish research quality.

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Available abstract

New very effective results on the liquid-phase oxidation of cyclohexene to cyclohexanone by nitrous oxide are analyzed using the B3LYP/6-31G* approximation to predict a two-step reaction mechanism correlated with the experimental data.

Key concepts: Cyclohexanone, Cyclohexene, Nitrous oxide, Cyclohexene oxide, Oxide, Chemistry, Mechanism (biology), Computational chemistry

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