Origins of ligand-controlled diastereoselectivity in dirhodium-catalysed direct amination of aliphatic C(sp3)–H bonds

DFT studies were used to explore the mechanism of ligand-controlled diastereoselectivity in Rh 2 -catalysed intramolecular C(sp 3 )–H aminations, and the stereoselectivities were revealed via distortion/interaction and noncovalent interaction analysis.