第14章。还原脱卤过程中非共价相互作用辅助氧化还原催化

S. Kurek, Piotr P Romańczyk
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引用次数: 0

摘要

本章展示了协助催化还原脱卤的非共价相互作用是多么普遍,包括还原脱卤酶中的酶促反应。给出了卤素键的例子,具体到该过程中的反应物,促进了它,还有氢键,这可能使碳-卤素键更容易被解理,甚至为电子转移提供了途径。各种类型的非共价相互作用将酶底物定位在脱卤进行的理想位置。对这样的系统进行了描述,并对邻近效应已被证明起作用的系统进行了建模。还强调了量子化学计算在发现非共价效应和揭示其对还原脱卤的效率和选择性的意义方面的重要性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
CHAPTER 14. Noncovalent Interaction-assisted Redox Catalysis in Reductive Dehalogenation
This chapter demonstrates how common are noncovalent interactions assisting catalytic reductive dehalogenation, including enzymatic reactions in reductive dehalogenases. Examples are given of halogen bonding, specific to the reactants in this process, facilitating it, but also hydrogen bonding, which may make the carbon–halogen bond more prone to cleavage or even provide a path for the electron transfer. Various types of noncovalent interactions locate the enzyme substrate in a position ideal for dehalogenation to proceed. Such systems are described, and also model systems, in which proximity effects have been shown to operate. The importance of quantum-chemical calculations in the discovery of noncovalent effects and revealing their significance for the efficiency and selectivity of reductive dehalogenation is also stressed.
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