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A Carbene‐Rich but Carbonyl‐Poor [Ir 6 (IMe) 8 (CO) 2 H 14 ] 2+ Polyhydride Cluster as a Deactivation Product from Catalytic Glycerol Dehydrogenation
Author(s) -
Campos Jesús,
Sharninghausen Liam S.,
Crabtree Robert H.,
Balcells David
Publication year - 2014
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201407997
Subject(s) - carbene , cluster (spacecraft) , dehydrogenation , spectroscopy , chemistry , catalysis , nuclear magnetic resonance spectroscopy , fourier transform infrared spectroscopy , crystallography , product (mathematics) , infrared spectroscopy , stereochemistry , physics , organic chemistry , quantum mechanics , computer science , programming language , geometry , mathematics
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 Ir 6 H 14 core with two CO and eight IMe ligands.