Enantioselective hydrosilylation of unsaturated carbon-heteroatom bonds (C&z.dbd;N, C&z.dbd;O) catalyzed by [Ru-S] complexes: a theoretical study

• Published in: RSC advances Vol. 1; no. 16; pp. 9431 - 9437
• Main Authors: Zhou, Miao-Miao, Chen, Guanghui, Dang, Li
• Format: Journal Article
• Language: English
• Published: England Royal Society of Chemistry 04.03.2020; The Royal Society of Chemistry
• Subjects: Carbon; Cartesian coordinates; catalysts; Cations; Chemistry; chemoselectivity; cleavage (chemistry); Dehydrogenation; Density functional theory; enamines; Enantiomers; enantioselectivity; enol ethers; hydrogen; Hydrogen bonds; Hydrosilylation; Imines; Ketones; Lewis acids; Ligands; phosphine; Phosphines; Reaction mechanisms; Ruthenium; Ruthenium compounds; silane; Silicon; silylation

A detailed theoretical study on the mechanism of enanthioselective hydrosilylation of imines and ketones catalyzed by the ruthenium( ii ) thiolate catalyst [Ru-S] ([ L* -Ru(SDmp)] + [BAr 4 F ] − ) with a chiral monodentate phosphine ligand is carried out in this work. We elucidate all the pathways l...