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

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

66 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

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1 Finished

Energy Frontier Research Center For Inorganometallic Catalyst Design (DE-SC0012702)
Gagliardi, L., Cramer, C., Lu, C. C., Penn, L., Stein, A. & Truhlar, D. G.
United States Department of Energy
8/1/14 → 7/31/18
Project: Research project

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Single-Site Organozirconium Catalyst Embedded in a Metal-Organic Framework. / Klet, Rachel C.; Tussupbayev, Samat; Borycz, Joshua; Gallagher, James R.; Stalzer, Madelyn M.; Miller, Jeffrey T.; Gagliardi, Laura; Hupp, Joseph T.; Marks, Tobin J.; Cramer, Christopher J.; Delferro, Massimiliano; Farha, Omar K.

In: Journal of the American Chemical Society, Vol. 137, No. 50, 23.12.2015, p. 15680-15683.

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

Klet, Rachel C. ; Tussupbayev, Samat ; Borycz, Joshua ; Gallagher, James R. ; Stalzer, Madelyn M. ; Miller, Jeffrey T. ; Gagliardi, Laura ; Hupp, Joseph T. ; Marks, Tobin J. ; Cramer, Christopher J. ; Delferro, Massimiliano ; Farha, Omar K. / Single-Site Organozirconium Catalyst Embedded in a Metal-Organic Framework. In: Journal of the American Chemical Society. 2015 ; Vol. 137, No. 50. pp. 15680-15683.

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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.",

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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.

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

Abstract

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Energy Frontier Research Center For Inorganometallic Catalyst Design (DE-SC0012702)

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