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Title: Catalytic activation of ethylene C–H bonds on uniform d 8 Ir( i ) and Ni( ii ) cations in zeolites: toward molecular level understanding of ethylene polymerization on heterogeneous catalysts

Abstract

The long-debated intermediates of ethylene polymerization are revealed using uniform d 8 metal ions in zeolites.

Authors:
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [2];  [2]; ORCiD logo [2]; ORCiD logo [1]; ORCiD logo [2]
  1. Institute for Integrated Catalysis, Pacific Northwest National Laboratory, Richland, USA, Voiland School of Chemical Engineering and Bioengineering
  2. Institute for Integrated Catalysis, Pacific Northwest National Laboratory, Richland, USA
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1571682
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Catalysis Science and Technology
Additional Journal Information:
Journal Name: Catalysis Science and Technology Journal Volume: 9 Journal Issue: 23; Journal ID: ISSN 2044-4753
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Jaegers, Nicholas R., Khivantsev, Konstantin, Kovarik, Libor, Klas, Daniel W., Hu, Jian Zhi, Wang, Yong, and Szanyi, János. Catalytic activation of ethylene C–H bonds on uniform d 8 Ir( i ) and Ni( ii ) cations in zeolites: toward molecular level understanding of ethylene polymerization on heterogeneous catalysts. United Kingdom: N. p., 2019. Web. doi:10.1039/C9CY01442J.
Jaegers, Nicholas R., Khivantsev, Konstantin, Kovarik, Libor, Klas, Daniel W., Hu, Jian Zhi, Wang, Yong, & Szanyi, János. Catalytic activation of ethylene C–H bonds on uniform d 8 Ir( i ) and Ni( ii ) cations in zeolites: toward molecular level understanding of ethylene polymerization on heterogeneous catalysts. United Kingdom. doi:10.1039/C9CY01442J.
Jaegers, Nicholas R., Khivantsev, Konstantin, Kovarik, Libor, Klas, Daniel W., Hu, Jian Zhi, Wang, Yong, and Szanyi, János. Mon . "Catalytic activation of ethylene C–H bonds on uniform d 8 Ir( i ) and Ni( ii ) cations in zeolites: toward molecular level understanding of ethylene polymerization on heterogeneous catalysts". United Kingdom. doi:10.1039/C9CY01442J.
@article{osti_1571682,
title = {Catalytic activation of ethylene C–H bonds on uniform d 8 Ir( i ) and Ni( ii ) cations in zeolites: toward molecular level understanding of ethylene polymerization on heterogeneous catalysts},
author = {Jaegers, Nicholas R. and Khivantsev, Konstantin and Kovarik, Libor and Klas, Daniel W. and Hu, Jian Zhi and Wang, Yong and Szanyi, János},
abstractNote = {The long-debated intermediates of ethylene polymerization are revealed using uniform d 8 metal ions in zeolites.},
doi = {10.1039/C9CY01442J},
journal = {Catalysis Science and Technology},
number = 23,
volume = 9,
place = {United Kingdom},
year = {2019},
month = {11}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on October 22, 2020
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Works referenced in this record:

Palladium/Beta zeolite passive NOx adsorbers (PNA): Clarification of PNA chemistry and the effects of CO and zeolite crystallite size on PNA performance
journal, January 2019


Evidence for the Coordination–Insertion Mechanism of Ethene Dimerization at Nickel Cations Exchanged onto Beta Molecular Sieves
journal, October 2018


A Bifunctional Mechanism for Ethene Dimerization: Catalysis by Rhodium Complexes on Zeolite HY in the Absence of Halides
journal, April 2011

  • Serna, Pedro; Gates, B. C.
  • Angewandte Chemie International Edition, Vol. 50, Issue 24
  • DOI: 10.1002/anie.201008086

Effect of the SiO2 support on the catalytic performance of Ag/ZrO2/SiO2 catalysts for the single-bed production of butadiene from ethanol
journal, November 2018

  • Dagle, Vanessa Lebarbier; Flake, Matthew D.; Lemmon, Teresa L.
  • Applied Catalysis B: Environmental, Vol. 236
  • DOI: 10.1016/j.apcatb.2018.05.055

Photochemical activation of ethene C–H bonds of (η 5 -C 5 H 5 )lr(C 2 H 4 ) 2 in low-temperature matrices and in solution
journal, January 1986

  • Haddleton, David M.; Perutz, Robin N.
  • J. Chem. Soc., Chem. Commun., Issue 23
  • DOI: 10.1039/C39860001734

Nature of Active Nickel Sites and Initiation Mechanism for Ethylene Oligomerization on Heterogeneous Ni-beta Catalysts
journal, March 2018


Zeolite-supported transition metal catalysts by design
journal, October 1992


Framework Stability of Heteroatom-Substituted Forms of Extra-Large-Pore Ge-Silicate Molecular Sieves: The Case of ITQ-44
journal, June 2012

  • Petkov, Petko St.; Aleksandrov, Hristiyan A.; Valtchev, Valentin
  • Chemistry of Materials, Vol. 24, Issue 13
  • DOI: 10.1021/cm300861e

1,3-Butadiene Adsorption over Transition Metal Polycation Exchanged Faujasites
journal, May 2012

  • Tsybulevski, Albert M.; Kustov, Leonid M.; Weston, Kerry C.
  • Industrial & Engineering Chemistry Research, Vol. 51, Issue 20
  • DOI: 10.1021/ie202478c

Stabilization of active, selective, and regenerable Ni-based dimerization catalysts by condensation of ethene withinordered mesopores
journal, August 2017


In Situ X- and Q-Band EPR Investigation of Ethylene Polymerization on Cr/SiO 2 Phillips Catalyst
journal, August 2018

  • Morra, Elena; Martino, Giorgia A.; Piovano, Alessandro
  • The Journal of Physical Chemistry C, Vol. 122, Issue 37
  • DOI: 10.1021/acs.jpcc.8b07699

Catalytic N−H Bond Activation and Breaking by a Well-Defined Co II 1 O 4 Site of a Heterogeneous Catalyst
journal, January 2018

  • Khivantsev, Konstantin; Biancardi, Alessandro; Fathizadeh, Mahdi
  • ChemCatChem, Vol. 10, Issue 4
  • DOI: 10.1002/cctc.201701268

Corrigendum to “Effects of hydrothermal aging on NH3-SCR reaction over Cu/zeolites” [J. Catal. 287 (2012) 203–209]
journal, May 2012


Transition-metal ions in zeolites: the perfect surface sites
journal, January 1988


Activation of Hydrogen and Hexane over Pt,H-Mordenite Hydroisomerization Catalysts
journal, May 2009

  • Lónyi, Ferenc; Kovács, Anita; Szegedi, Ágnes
  • The Journal of Physical Chemistry C, Vol. 113, Issue 24
  • DOI: 10.1021/jp810716f

When Gold Is Not Noble: Catalysis by Nanoparticles
journal, April 2003


Chemistry of olefin polymerization reactions with chromium‐based catalysts
journal, August 2008

  • Kissin, Yury V.; Brandolini, Anita J.
  • Journal of Polymer Science Part A: Polymer Chemistry, Vol. 46, Issue 16
  • DOI: 10.1002/pola.22899

Ethene Oligomerization in Ni-Containing Zeolites: Theoretical Discrimination of Reaction Mechanisms
journal, January 2016


An FTIR spectroscopic view of the initiation of ethylene polymerization on Cr/SiO2 catalyst
journal, October 1992


Metal clusters in zeolites: an intriguing class of catalysts
journal, July 1993

  • Sachtler, Wolfgang M. H.
  • Accounts of Chemical Research, Vol. 26, Issue 7
  • DOI: 10.1021/ar00031a005

Crossing the Borders Between Homogeneous and Heterogeneous Catalysis: Developing Recoverable and Reusable Catalytic Systems
journal, April 2008


Molecular Level Understanding of How Oxygen and Carbon Monoxide Improve NO x Storage in Palladium/SSZ-13 Passive NO x Adsorbers: The Role of NO + and Pd(II)(CO)(NO) Species
journal, April 2018

  • Khivantsev, Konstantin; Gao, Feng; Kovarik, Libor
  • The Journal of Physical Chemistry C, Vol. 122, Issue 20
  • DOI: 10.1021/acs.jpcc.8b01007

Effect of Si/Al Ratio and Rh Precursor Used on the Synthesis of HY Zeolite-Supported Rhodium Carbonyl Hydride Complexes
journal, July 2015

  • Khivantsev, Konstantin; Vityuk, Artem; Aleksandrov, Hristiyan A.
  • The Journal of Physical Chemistry C, Vol. 119, Issue 30
  • DOI: 10.1021/acs.jpcc.5b03969

Selective propane dehydrogenation with single-site CoII on SiO2 by a non-redox mechanism
journal, February 2015


Structure and reactivity of bis(pentamethylcyclopentadienyl)(ethylene)titanium(II), a simple olefin adduct of titanium
journal, March 1983

  • Cohen, Steven A.; Auburn, Pamela R.; Bercaw, John E.
  • Journal of the American Chemical Society, Vol. 105, Issue 5
  • DOI: 10.1021/ja00343a012

The adsorption of carbon monoxide on H-ZSM-5 and hydrothermally treated H-ZSM-5
journal, October 1996


Recent Breakthroughs in the Conversion of Ethanol to Butadiene
journal, December 2016

  • Pomalaza, Guillaume; Capron, Mickaël; Ordomsky, Vitaly
  • Catalysts, Vol. 6, Issue 12
  • DOI: 10.3390/catal6120203

Synthesis, Modeling, and Catalytic Properties of HY Zeolite-Supported Rhodium Dinitrosyl Complexes
journal, August 2017

  • Khivantsev, Konstantin; Vityuk, Artem; Aleksandrov, Hristiyan A.
  • ACS Catalysis, Vol. 7, Issue 9
  • DOI: 10.1021/acscatal.7b00864

Rhodium catalysts prepared by attachment of Rh6(CO)16 onto chemically modified silicas. Characterization of the infrared spectra in the carbonyl stretching region
journal, January 1979

  • Knözinger, Helmut; Thornton, Edward W.; Wolf, Margit
  • Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases, Vol. 75, Issue 0
  • DOI: 10.1039/f19797501888

Nickel-based solid catalysts for ethylene oligomerization – a review
journal, January 2014

  • Finiels, Annie; Fajula, François; Hulea, Vasile
  • Catal. Sci. Technol., Vol. 4, Issue 8
  • DOI: 10.1039/C4CY00305E

Jack Halpern (1925-2018)
journal, March 2018

  • Goldman, Alan S.; Landis, Clark R.; Sen, Ayusman
  • Angewandte Chemie International Edition, Vol. 57, Issue 17
  • DOI: 10.1002/anie.201802390

Achieving Atomic Dispersion of Highly Loaded Transition Metals in Small-Pore Zeolite SSZ-13: High-Capacity and High-Efficiency Low-Temperature CO and Passive NO x Adsorbers
journal, November 2018

  • Khivantsev, Konstantin; Jaegers, Nicholas R.; Kovarik, Libor
  • Angewandte Chemie International Edition, Vol. 57, Issue 51
  • DOI: 10.1002/anie.201809343

Infrared Studies of Carbon Monoxide Chemisorbed on Rhodium
journal, November 1957

  • Yang, C.; Garl, Carl W.
  • The Journal of Physical Chemistry, Vol. 61, Issue 11
  • DOI: 10.1021/j150557a013

Mechanistic study of ethanol conversion into butadiene over silver promoted zirconia catalysts
journal, October 2017


Isostructural Zeolite-Supported Rhodium and Iridium Complexes: Tuning Catalytic Activity and Selectivity by Ligand Modification
journal, August 2015


Selective Dehydrogenative Coupling of Ethylene to Butadiene via an Iridacyclopentane Complex
journal, January 2018

  • Gao, Yang; Emge, Thomas J.; Krogh-Jespersen, Karsten
  • Journal of the American Chemical Society, Vol. 140, Issue 6
  • DOI: 10.1021/jacs.7b11689