Computational Advances of Rh-Catalyzed C-H Functionalization From Elementary Reaction to Mechanism

 This book offers a comprehensive overview of recent theoretical studies on rhodium-catalyzed C-H functionalization, a topic that has attracted considerable attention over the years. It includes a brief experimental history, elementary reactions, and theoretical perspectives and describes in detail recent advanced computational studies on different types of Rh-catalyzed C-H functionalization, the underlying mechanisms, and the origin of regioselectivity in a series of such reactions. Providing examples shows readers how to use theoretical tools to solve problems related to mechanisms of organometallic reactions. As such, the book is an interesting and useful resource for a wide readership in various fields involving synthetic organic, organometallic, and catalysis reactions.

Yu Lan completed his Ph.D. at Peking University in 2008 under the supervision of Professor Yun-Dong Wu. From 2009 to 2012, he worked as a postdoctoral fellow at the University of California, Los Angeles, with Professor K. N. Houk. He then joined the Faculty of Chongqing University, China, where he is Professor of Organic Chemistry. In 2018, he moved to Zhengzhou University, China. He is currently Distinguished Professor of Henan Province. His main research interest is theoretical studies on organometallic catalysis. He has authored over 200 scientific publications and has received numerous awards, including the “Chinese Chemical Society Award for Outstanding Young Chemists.”  

Ruopeng Bai received his B.Sc. from the University of Science and Technology of China in 2011 and completed his Ph.D. at Wuhan University under the supervision of Prof. Aiwen Lei in 2016. He is currently Assistant Professor of Chemistry at Chongqing University.