We recently reported pincer-based Ir catalysts for dehydrogenative borylation of terminal alkynes (DHBTA).  The original catalysts discovered contained a SiNN (silane-amido-quinoline) pincer ligand.  Computational studies of the mechanism by which (SiNN)Ir catalysts operate revealed a complex web of transformations that rely on the migration of a boryl substituent between N(amido) and Ir, as well as adaptive changes in the bonding of the Si-H moiety to Ir.  In contrast, combined experimental and computational studies on the Ir catalysts supported by the amido/bis(phosphine) PNP ligands indicate that they catalyze DHBTA by a more classical mechanism, ostensibly without N/Ir boryl migration and in the absence of the adaptable ligand such as an Si-H.

Studies of mechanism of dehydrogenative borylation of terminal alkynes by (PNP)Ir complexes

2019 Spring National Meeting

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.