Metal-Organic Framework Nodes as Nearly Ideal Supports for Molecular Catalysts: NU-1000- and UiO-66-Supported Iridium Complexes

Dong Yang, Samuel O. Odoh, Timothy C. Wang, Omar K. Farha, Joseph T Hupp, Christopher J. Cramer, Laura Gagliardi, Bruce C. Gates

Research output: Contribution to journalArticle

111 Citations (Scopus)

Abstract

Metal-organic frameworks with Zr6 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.

Original languageEnglish
Pages (from-to)7391-7396
Number of pages6
JournalJournal of the American Chemical Society
Volume137
Issue number23
DOIs
Publication statusPublished - Jun 17 2015

Fingerprint

Iridium
Carbon Monoxide
Catalyst supports
Metals
Infrared Rays
Catalysts
Hydrogenation
Dimerization
Catalyst selectivity
X ray absorption
Density functional theory
Catalyst activity
Ethylene
X-Rays
Infrared radiation
ethylene

ASJC Scopus subject areas

  • Chemistry(all)
  • Catalysis
  • Biochemistry
  • Colloid and Surface Chemistry

Cite this

Metal-Organic Framework Nodes as Nearly Ideal Supports for Molecular Catalysts : NU-1000- and UiO-66-Supported Iridium Complexes. / Yang, Dong; Odoh, Samuel O.; Wang, Timothy C.; Farha, Omar K.; Hupp, Joseph T; Cramer, Christopher J.; Gagliardi, Laura; Gates, Bruce C.

In: Journal of the American Chemical Society, Vol. 137, No. 23, 17.06.2015, p. 7391-7396.

Research output: Contribution to journalArticle

Yang, Dong ; Odoh, Samuel O. ; Wang, Timothy C. ; Farha, Omar K. ; Hupp, Joseph T ; Cramer, Christopher J. ; Gagliardi, Laura ; Gates, Bruce C. / Metal-Organic Framework Nodes as Nearly Ideal Supports for Molecular Catalysts : NU-1000- and UiO-66-Supported Iridium Complexes. In: Journal of the American Chemical Society. 2015 ; Vol. 137, No. 23. pp. 7391-7396.
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abstract = "Metal-organic frameworks with Zr6 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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AU - Farha, Omar K.

AU - Hupp, Joseph T

AU - Cramer, Christopher J.

AU - Gagliardi, Laura

AU - Gates, Bruce C.

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