Computational Advances of Rh-Catalyzed C–H Functionalization

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.”   Cheng-Xing Cui joined the Faculty of Henan Institute of Science and Technology in 2004 after he gratuated from Taiyuan University of Technology. He received his B.Sc from Zhengzhou University in 2011 under the supervision of Professor Ming-Sheng Tang and completed his Ph.D. at Beijing Normal University under the supervision of Prof. Ya-Jun Liu in 2015, respectively. Between 2016 to 2019, he engaged in the postdoctoral research of chemistry under the supervision of Prof. Ling-Bo Qu in Henan University of Technology. He is currently Associate Professor of Chemistry at Henan Institute of Science and Technology. His main research interest is theoretical and compuational chemistry. Song Liu received his master’s degree in 2016 and completed his Ph.D. at Chongqing University in 2020 under the supervision of Professor Yu Lan. He is currently Assistant Professor of Chemistry at Chongqing University of Arts and Sciences. Chun-Xiang Li received her Ph.D. at Beijing Normal University under the supervision of Prof. Wei-Hai Fang in 2020. She now engages in the postdoctoral research of chemistry under the supervision of Prof. Ling-Bo Qu and Yu-Ping Zhang at Henan Institute of Science and Technology. Her main research interest istheoretical and compuational photochemistry. 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.

Rh-catalyzed C-H functionalization.- Elementary reactions in Rh-catalyzed C-H functionalization.- Theoretical view of Rh-catalyzed C-C bond formation via C-H functionalization.- Theoretical view of Rh-catalyzed C-X bond formation via C-H functionalization.- Theoretical view of Rh-catalyzed hydrogenation via C-H functionalization.