Anupama Mahato

Unraveling the Molecular Origin of the Unprecedented ortho-Chloride Effect in Cobalt-Catalyzed Asymmetric Hydrogenation of 1,1-Diarylethenes.

The molecular origin of the unusual ortho-chloride effect in cobalt-catalyzed asymmetric hydrogenation of 1,1-diarylethenes has been investigated using density functional theory. The complete catalytic cycle, including alkene coordination, alkene insertion, hydrogen activation, and catalyst regeneration, was elucidated...