Redefining the Mechanistic Scenario of Carbon−Sulfur Nucleophilic Coupling via High‐Valent Cp*Co^IV Species

Abstract

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.