title: A carbene-rich but carbonyl-poor [Ir6 (IMe)8 (CO)2 H14 ](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.
authors.affiliation: Department of Chemistry, Yale University, 225 Prospect Street, New Haven, Connecticut 06520 (USA). jesus.camposmanzano@yale.edu.
authors.forename: Jesús
authors.initials: J
authors.lastname: Campos
authors.forename: Liam S
authors.initials: LS
authors.lastname: Sharninghausen
authors.forename: Robert H
authors.initials: RH
authors.lastname: Crabtree
authors.forename: David
authors.initials: D
authors.lastname: Balcells
keywords: N-heterocyclic carbenes; NMR spectroscopy; deactivation; fluxionality; nuclear Overhauser effect