Redefining the Mechanistic Scenario of Carbon-Sulfur Nucleophilic Coupling via High-Valent Cp*CoIV Species

Abstract

The potential access to Co^IV species for promoting transformations that are particularly challenging at Co^III still remains underexploited in the context of Cp*Co-catalyzed C-H functionalization reactions. Herein, we disclose a combined experimental and computational strategy for uncovering the participation of Cp*Co^IV species in a Cp*Co-mediated C-S bond-reductive elimination. These studies support the intermediacy of high-valent Cp*Co species in C-H functionalization reactions, under oxidative conditions, when involving nucleophilic coupling partners.

Keywords: C−H functionalization; cobalt; homogeneous catalysis; reaction mechanisms; reductive elimination.