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Strong or weak acid, which is more efficient for Beckmann rearrangement reaction over solid acid catalysts?

机译:强还是弱酸,这对于贝克曼重排反应在固体酸催化剂上更有效?

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摘要

The effects of Bronsted acid strength and pore confinement on the Beckmann rearrangement (BR) reaction over solid acid catalysts have been explored. With the help of catalytic evaluation experiments, it is demonstrated that oximes with different size (cyclohexanone oxime and acetoxime) exhibit quite different BR reactivity dependence on the acid strength over microporous and mesoporous zeolites. In order to reveal the origin of such a difference, electronic structure calculations and kinetic analysis were performed. It was theoretically found that the confinement effect from the microporous zeolite framework has a more significant influence on the rate-determining step of the BR reaction when the oxime reactant is well-confined inside the microporous voids, which in turn controls the BR reactivity.
机译:Bronsted Acid强度和孔隙限制对贝克曼重排(BR)反应对固体酸催化剂的影响。 在催化评估实验的帮助下,证明具有不同大小(环己酮氧电和乙酰氧气)的氧化体对微孔和介孔沸石的酸强度的依赖性表现出完全不同的BR反应性。 为了揭示这种差异的起源,进行了电子结构计算和动力学分析。 从理论上讲,微孔沸石框架的限制效应对当微孔空间内部有良好的限制时,对BR反应的速率确定步骤具有更大的影响,这又控制BR反应性。

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