A Carbene‐Rich but Carbonyl‐Poor [Ir₆(IMe)₈(CO)₂H₁₄]²⁺ Polyhydride Cluster as a Deactivation Product from Catalytic Glycerol Dehydrogenation

Abstract

The title cluster, a deactivation product in the catalytic dehydrogenation of glycerol, was characterized by XRD, DFT calculations, HRMS, FTIR spectroscopy, and NMR spectroscopy. Experimental/computational studies located the 14 H ligands, and all (1) H and (13) C{(1) H} NMR resonances were assigned. The structure contains an unprecedented Ir6 H14 core with two CO and eight IMe ligands.