Ir(III)-Induced C-Bound to N-Bound Tautomerization of a N-Heterocyclic Carbene

Abstract

An iridium N-heterocyclic carbene (NHC) complex with a rare hydrogen wing tip was obtained via C−N bond cleavage. The C-bound to N-bound tautomerization of this carbene cannot be achieved in this neutral 18-electron Ir(III) complex. Chloride abstraction in MeCN afforded an NHC−acetimidamide complex, where the N-bound to C-bound tautomerization of this carbene was observed in CDCl3 at 110 °C. Crystal structures of iridium complexes with these rare ligands were reported.