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

doi:10.1021/jacs.5b02956

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 journal › Article › peer-review

223 Scopus citations

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 language	English (US)
Pages (from-to)	7391-7396
Number of pages	6
Journal	Journal of the American Chemical Society
Volume	137
Issue number	23
DOIs	https://doi.org/10.1021/jacs.5b02956
State	Published - Jun 17 2015

Bibliographical note

Publisher Copyright:
© 2015 American Chemical Society.

Publisher link

10.1021/jacs.5b02956

Find It

Find It at U of M Libraries

Cite this

@article{5ba2a0bd1ad5497ba9b2b15cd63f6e6f,

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

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.",

author = "Dong Yang and Odoh, {Samuel O.} and Wang, {Timothy C.} and Farha, {Omar K.} and Hupp, {Joseph T.} and Cramer, {Christopher J.} and Laura Gagliardi and Gates, {Bruce C.}",

note = "Publisher Copyright: {\textcopyright} 2015 American Chemical Society.",

year = "2015",

month = jun,

day = "17",

doi = "10.1021/jacs.5b02956",

language = "English (US)",

volume = "137",

pages = "7391--7396",

journal = "Journal of the American Chemical Society",

issn = "0002-7863",

publisher = "American Chemical Society",

number = "23",

}

TY - JOUR

T1 - Metal-Organic Framework Nodes as Nearly Ideal Supports for Molecular Catalysts

T2 - NU-1000- and UiO-66-Supported Iridium Complexes

AU - Yang, Dong

AU - Odoh, Samuel O.

AU - Wang, Timothy C.

AU - Farha, Omar K.

AU - Hupp, Joseph T.

AU - Cramer, Christopher J.

AU - Gagliardi, Laura

AU - Gates, Bruce C.

PY - 2015/6/17

Y1 - 2015/6/17

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=84934924877&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84934924877&partnerID=8YFLogxK

U2 - 10.1021/jacs.5b02956

DO - 10.1021/jacs.5b02956

M3 - Article

C2 - 25990021

AN - SCOPUS:84934924877

SN - 0002-7863

VL - 137

SP - 7391

EP - 7396

JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

IS - 23

ER -

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

Abstract

Bibliographical note

Publisher link

Find It

Other files and links

Fingerprint

Cite this