Unconventional diastereoselectivity and mechanism of Cp*Co(iii)-catalyzed C–H functionalization of asymmetric dienes: a DFT perspective | Synapse
September 10, 2025Open Access
Unconventional diastereoselectivity and mechanism of Cp*Co(iii)-catalyzed C–H functionalization of asymmetric dienes: a DFT perspective
Key Points
The study reveals unconventional diastereoselectivity in Cp*Co(iii)-catalyzed reactions involving asymmetric dienes, expanding our understanding of C–H functionalization.
Key insights include how different factors influence the reaction mechanisms, leading to unique selectivity reports for asymmetric dienes interaction with C–H bonds.
Analysis employs density functional theory (DFT) to investigate the nuanced mechanisms behind the C–H functionalization reaction in depth.
These findings may enable the development of new catalytic processes by informing future synthetic strategies involving asymmetric dienes and C–H bond activation.
Abstract
The mechanisms and unconventional diastereoselectivity of Cp*Co( iii )-catalyzed three-component C–H functionalization of asymmetric dienes are theoretically unraveled.