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
Abstract
V. I. Avdeev, Sergey Ph. Ruzankin, G. M. Zhidomirov
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.
OpenAlex reports 33 citations for this work. Citation counts describe recorded attention and do not establish research quality.
A contribution statement is not available in the OpenAlex record.
Method details are not available in the OpenAlex metadata.
Findings are not separately available in the OpenAlex metadata.
Limitations are not available in the OpenAlex metadata.
Application details are not available in the OpenAlex metadata.
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