Single-Site Organozirconium Catalyst Embedded in a Metal-Organic Framework

Rachel C. Klet; Samat Tussupbayev; Joshua Borycz; James R. Gallagher; Madelyn M. Stalzer; Jeffrey T. Miller; Laura Gagliardi; Joseph T. Hupp; Tobin J. Marks; Christopher J. Cramer; Massimiliano Delferro; Omar K. Farha

doi:10.1021/jacs.5b11350

Single-Site Organozirconium Catalyst Embedded in a Metal-Organic Framework

Rachel C. Klet, Samat Tussupbayev, Joshua Borycz, James R. Gallagher, Madelyn M. Stalzer, Jeffrey T. Miller, Laura Gagliardi^*, Joseph T. Hupp, Tobin J. Marks, Christopher J. Cramer, Massimiliano Delferro, Omar K. Farha

^*Corresponding author for this work

Chemistry

Research output: Contribution to journal › Article › peer-review

104 Scopus citations

Abstract

A structurally well-defined mesoporous Hf-based metal-organic framework (Hf-NU-1000) is employed as a well-defined scaffold for a highly electrophilic single-site d⁰ Zr-benzyl catalytic center. This new material Hf-NU-1000-ZrBn is fully characterized by a variety of spectroscopic techniques and DFT computation. Hf-NU-1000-ZrBn is found to be a promising single-component catalyst (i.e., not requiring a catalyst/activator) for ethylene and stereoregular 1-hexene polymerization.

Original language	English (US)
Pages (from-to)	15680-15683
Number of pages	4
Journal	Journal of the American Chemical Society
Volume	137
Issue number	50
DOIs	https://doi.org/10.1021/jacs.5b11350
State	Published - Dec 23 2015

ASJC Scopus subject areas

Catalysis
General Chemistry
Biochemistry
Colloid and Surface Chemistry

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10.1021/jacs.5b11350

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title = "Single-Site Organozirconium Catalyst Embedded in a Metal-Organic Framework",

abstract = "A structurally well-defined mesoporous Hf-based metal-organic framework (Hf-NU-1000) is employed as a well-defined scaffold for a highly electrophilic single-site d0 Zr-benzyl catalytic center. This new material Hf-NU-1000-ZrBn is fully characterized by a variety of spectroscopic techniques and DFT computation. Hf-NU-1000-ZrBn is found to be a promising single-component catalyst (i.e., not requiring a catalyst/activator) for ethylene and stereoregular 1-hexene polymerization.",

author = "Klet, {Rachel C.} and Samat Tussupbayev and Joshua Borycz and Gallagher, {James R.} and Stalzer, {Madelyn M.} and Miller, {Jeffrey T.} and Laura Gagliardi and Hupp, {Joseph T.} and Marks, {Tobin J.} and Cramer, {Christopher J.} and Massimiliano Delferro and Farha, {Omar K.}",

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doi = "10.1021/jacs.5b11350",

language = "English (US)",

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T1 - Single-Site Organozirconium Catalyst Embedded in a Metal-Organic Framework

AU - Klet, Rachel C.

AU - Tussupbayev, Samat

AU - Borycz, Joshua

AU - Gallagher, James R.

AU - Stalzer, Madelyn M.

AU - Miller, Jeffrey T.

AU - Gagliardi, Laura

AU - Hupp, Joseph T.

AU - Marks, Tobin J.

AU - Cramer, Christopher J.

AU - Delferro, Massimiliano

AU - Farha, Omar K.

PY - 2015/12/23

Y1 - 2015/12/23

N2 - A structurally well-defined mesoporous Hf-based metal-organic framework (Hf-NU-1000) is employed as a well-defined scaffold for a highly electrophilic single-site d0 Zr-benzyl catalytic center. This new material Hf-NU-1000-ZrBn is fully characterized by a variety of spectroscopic techniques and DFT computation. Hf-NU-1000-ZrBn is found to be a promising single-component catalyst (i.e., not requiring a catalyst/activator) for ethylene and stereoregular 1-hexene polymerization.

AB - A structurally well-defined mesoporous Hf-based metal-organic framework (Hf-NU-1000) is employed as a well-defined scaffold for a highly electrophilic single-site d0 Zr-benzyl catalytic center. This new material Hf-NU-1000-ZrBn is fully characterized by a variety of spectroscopic techniques and DFT computation. Hf-NU-1000-ZrBn is found to be a promising single-component catalyst (i.e., not requiring a catalyst/activator) for ethylene and stereoregular 1-hexene polymerization.

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JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

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ER -

Single-Site Organozirconium Catalyst Embedded in a Metal-Organic Framework

Abstract

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