Investigating the Mukaiyama-type epoxidation reaction of alkenes with Cr(III) salophen catalysts: A confrontation between experiments and DFT calculations - Sorbonne Université Access content directly
Journal Articles Journal of Catalysis Year : 2024

Investigating the Mukaiyama-type epoxidation reaction of alkenes with Cr(III) salophen catalysts: A confrontation between experiments and DFT calculations

Abstract

This study aimed at the complete elucidation of the mechanism of the Mukaiyama-type alkene epoxidation reaction using the [(salophen)CrIIICl] precatalyst, by combining spectroscopic (UV–visible and EPR) studies, catalytic reactivity and quantum chemical modeling. These studies performed in parallel allowed us to propose a detailed reaction scheme, in which two consecutive active species incorporating both {salophen(CrV = O)} moieties were formed in situ, resulting in two distinct catalytic regimes.
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Dates and versions

hal-04579211 , version 1 (17-05-2024)

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Arnaud Marvilliers, Jean-Baptiste Harlé, Franck Launay, Sébastien Blanchard, Anne Gauvin-Bialecki, et al.. Investigating the Mukaiyama-type epoxidation reaction of alkenes with Cr(III) salophen catalysts: A confrontation between experiments and DFT calculations. Journal of Catalysis, 2024, 434, pp.115526. ⟨10.1016/j.jcat.2024.115526⟩. ⟨hal-04579211⟩
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