Journal
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Volume 137, Issue 23, Pages 7391-7396Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jacs.5b02956
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- U.S. Department of Energy, Office of Science, Basic Energy Sciences [DE-SC0012702]
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Metal organic frameworks with Zr-6 nodes, UiO-66 and NU-1000, were investigated as supports for Ir(CO)(2) and Ir(C2H4)(2) complexes. A single bonding site for the iridium is identified on the nodes of NU-1000, whereas two sites are identified on UiO-66, although at low iridium loadings only one site is occupied. Density functional theory calculations provide structural results that are in good agreement with infrared and X-ray absorption fine-structure spectra. The reactivity of node-supported Ir(CO)(2) with C2H4 and the catalytic activity and selectivity of the species initially present as Ir(C2H4)2 for ethylene hydrogenation and dimerization were investigated both experimentally and computationally and shown to be strongly influenced by the node.
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