4.7 Article

Gel-assisted crystallization of [Ir4(IMe)7(CO)H10]2+ and [Ir4(IMe)8H9]3+ clusters derived from catalytic glycerol dehydrogenation

Journal

DALTON TRANSACTIONS
Volume 44, Issue 42, Pages 18403-18410

Publisher

ROYAL SOC CHEMISTRY
DOI: 10.1039/c5dt03302k

Keywords

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Funding

  1. CCHF, Energy Frontier Research Center - U.S. Department of Energy (DoE), Office of Science, Office of Basic Energy Sciences [DE-SC0001298]
  2. U.S. Department of Energy (DoE), Office of Science, Office of Basic Energy Sciences catalysis award [DE-FG02-84ER13297]
  3. Norwegian Research Council through the Center of Excellence for Theoretical and Computational Chemistry (CTCC) [179568/V30]
  4. Norwegian Metacenter for Computational Science (NOTUR) [nn4654k]
  5. EU Research Executive Agency [CompuWOC/618303]

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The two title clusters were formed during iridium-catalyzed glycerol dehydrogenation and display a remarkably high NHC content. They were crystallized in either agarose or polyethylene oxide gel matrices, while more conventional crystallization techniques proved unsuccessful. Cluster [Ir-4(IMe)(8)H-9](3+), with a net charge of +3, was only crystallizable with a polyoxometalate Keggin trianion. The crystal packing of this intercluster compound is discussed. Computational studies position the iridium hydrides and provide insights into the bonding.

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