Zhuofeng Ke

Bis-Nitrene Prevails: Ligand-Controlled Divergence from the Conventional Mononitrene Pathway in Dirhodium Catalysis

Abstract Dirhodium paddlewheel complexes are widely used in C–H amination, yet whether bis-nitrene intermediates participate in catalysis remains an open question. Through systematic DFT calculations at the M06L/dgdzvp/SMD level, we show that both axial and bridging ligands exert...