The Essential Role of Bond Energetics in C–H Activation/Functionalization,Chemical Reviews

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The Essential Role of Bond Energetics in C–H Activation/Functionalization
Chemical Reviews ( IF 51.4 ) Pub Date : 2017-03-10 00:00:00 , DOI: 10.1021/acs.chemrev.6b00664
Xiao-Song Xue ₁ , Pengju Ji ₂ , Biying Zhou ₁ , Jin-Pei Cheng _{1,

2}

Affiliation

The most fundamental concepts in chemistry are structure, energetics, reactivity and their inter-relationships, which are indispensable for promoting chemistry into a rational science. In this regard, bond energy, the intrinsic determinant directly related to structure and reactivity, should be most essential in serving as a quantitative basis for the design and understanding of organic transformations. Although C–H activation/functionalization have drawn tremendous research attention and flourished during the past decades, understanding the governing rules of bond energetics in these processes is still fragmentary and seems applicable only to limited cases, such as metal–oxo-mediated hydrogen atom abstraction. Despite the complexity of C–H activation/functionalization and the difficulties in measuring bond energies both for the substrates and intermediates, this is definitely a very important issue that should be more generally contemplated. To this end, this review is rooted in the energetic aspects of C–H activation/functionalization, which were previously rarely discussed in detail. Starting with a concise but necessary introduction of various classical methods for measuring heterolytic and homolytic energies for C–H bonds, the present review provides examples that applied the concept and values of C–H bond energy in rationalizing the observations associated with reactivity and/or selectivity in C–H activation/functionalization.

中文翻译：

键能量学在C–H活化/功能化中的重要作用

化学中最基本的概念是结构，能量，反应性及其相互关系，这对于将化学提升为理性科学是必不可少的。在这方面，键能是与结构和反应性直接相关的内在决定因素，在作为设计和理解有机转化的定量基础时，应该是最重要的。尽管C–H活化/官能化在过去的几十年中引起了极大的研究关注并蓬勃发展，但是了解这些过程中键能的控制规则仍然是零碎的，并且似乎仅适用于有限的情况，例如金属-氧-介导的氢原子抽象。尽管C–H活化/功能化的复杂性以及在测量底物和中间体的键能时都存在困难，但这绝对是一个非常重要的问题，应该更广泛地考虑。为此，本文的回顾基于C–H激活/功能化的活跃方面，以前很少进行详细讨论。从简要但必要的介绍各种测量C–H键的杂合和均溶能的经典方法开始，本综述提供了一些示例，这些示例应用了C–H键能的概念和值来合理化与反应性和/或相关的观察结果。 C–H活化/官能化的选择性。这篇评论源于C–H激活/功能化的活跃方面，以前很少进行详细讨论。从简要但必要的介绍各种测量C–H键的杂合和均溶能的经典方法开始，本综述提供了一些示例，这些示例应用了C–H键能的概念和值来合理化与反应性和/或相关的观察结果。 C–H活化/官能化的选择性。这篇评论源于C–H激活/功能化的活跃方面，以前很少进行详细讨论。从简要但必要的介绍各种测量C–H键的杂合和均溶能的经典方法开始，本综述提供了一些示例，这些示例应用了C–H键能的概念和值来合理化与反应性和/或相关的观察结果。 C–H活化/官能化的选择性。

更新日期：2017-03-10

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