This study aimed at the complete elucidation of the mechanism of the Mukaiyama-type alkene epoxidation reaction using the [(salophen)CrCl] 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(Cr = O)} moieties were formed , resulting in two distinct catalytic regimes.

中文翻译：

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研究 Cr(III) salophen 催化剂下烯烃的向山型环氧化反应：实验与 DFT 计算之间的对抗


本研究旨在通过结合光谱（紫外可见光和 EPR）研究、催化反应性和量子化学模型，完整阐明使用 [(salophen)CrCl] 预催化剂的 Mukaiyama 型烯烃环氧化反应的机理。这些并行进行的研究使我们能够提出一个详细的反应方案，其中形成了包含两个 {salophen(Cr = O)} 部分的两个连续的活性物质，从而产生了两种不同的催化方案。