Journal
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
Volume 53, Issue 47, Pages 12808-12811Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.201407997
Keywords
deactivation; fluxionality; N-heterocyclic carbenes; NMR spectroscopy; nuclear Overhauser effect
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Funding
- CCHF, an EFRC - US DoE, Office of Science, Office of Basic Energy Sciences [DE-SC0001298, DE-FG02-84ER13297]
- Norwegian Research Council through the Center of Excellence for Theoretical and Computational Chemistry (CTCC) [179568V30]
- Norwegian Metacenter for Computational Science (NOTUR) [nn4654k]
- EU REA [CompuWOC/618303]
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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 H-1 and C-13{H-1} NMR resonances were assigned. The structure contains an unprecedented Ir6H14 core with two CO and eight IMe ligands.
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