章29。从非共价相互作用的角度分析反应性

R. Á. Boto, T. Woller, J. Contreras‐García, Israel Fernández
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引用次数: 0

摘要

本章说明了最近引入的非共价相互作用(NCI)方法在理解分子反应性方面的良好性能。这种方法不仅有助于确定ncci的性质,而且还可用于更深入地了解这种相互作用对化学中不同基本转化(包括催化过程)结果的影响。为此,选择了具有代表性的催化转化,其中NCI方法是使反应性趋势和选择性等不同方面合理化的关键。所选择的催化反应范围从相对简单的转化,如Diels-Alder环加成到更复杂的过渡金属和有机催化过程。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
CHAPTER 29. Analysis of Reactivity from the Noncovalent Interactions Perspective
This chapter illustrates the good performance of the recently introduced noncovalent interactions (NCI) method in understanding molecular reactivity. This method is not only helpful in identifying the nature of the NCIs but can be also used to gain a deeper insight into the influence of such interactions on the outcome of different fundamental transformations in chemistry, including catalysed processes. To this end, representative catalysed transformations were selected where the NCI method was key to rationalizing different aspects such as reactivity trends and selectivity. The catalysed reactions chosen range from relatively simple transformations such as Diels–Alder cycloadditions to more intricate transition metal- and organo-catalysed processes.
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