Maity Bholanath, Dutta Sayan, Cavallo Luigi
KAUST Catalysis Center (KCC), King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900, Saudi Arabia.
Chem Soc Rev. 2023 Aug 14;52(16):5373-5387. doi: 10.1039/d2cs00960a.
C-C cross-coupling by activating C-H bonds is a dream reaction for the chemical community, and visible light-induced transition metal-catalysis under mild reaction conditions is considered a powerful tool to achieve it. Advancement of this research area is still in its infancy because of the chemical and technical complexity of this catalysis. Mechanistic studies illuminating the operative reaction pathways can rationalize the increasing amount of experimental catalysis data and provide the knowledge allowing faster and rational advances in the field. This goal requires complementary experimental and theoretical mechanistic studies, as each of them is unfit to clarify the operative mechanisms alone. In this tutorial review we summarize representative experimental and computational mechanistic studies, highlighting weaknesses, strengths, and synergies between the two approaches.
通过活化C-H键进行的C-C交叉偶联是化学界梦寐以求的反应,而在温和反应条件下的可见光诱导过渡金属催化被认为是实现这一反应的有力工具。由于这种催化的化学和技术复杂性,该研究领域仍处于起步阶段。阐明反应操作途径的机理研究可以使越来越多的实验催化数据合理化,并提供相关知识,以推动该领域更快、更合理地发展。这一目标需要互补的实验和理论机理研究,因为它们各自都不足以单独阐明反应操作机制。在本教程综述中,我们总结了具有代表性的实验和计算机理研究,突出了这两种方法的弱点、优点以及协同作用。