Search Menu
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information
Search Scholarly Publications

Title: Benzene Selectivity in Competitive Arene Hydrogenation: Effects of Single-Site Catalyst···Acidic Oxide Surface Binding Geometry

Abstract

Organozirconium complexes are chemisorbed on Brønsted acidic sulfated ZrO2 (ZrS), sulfated Al2O3 (AlS), and ZrO2–WO3 (ZrW). Under mild conditions (25 °C, 1 atm H2), the supported Cp*ZrMe3, Cp*ZrBz3, and Cp*ZrPh3 catalysts are very active for benzene hydrogenation with activities declining with decreasing acidity, ZrS >> AlS ≈ ZrW, arguing that more Brønsted acidic oxides (those having weaker corresponding conjugate bases) yield stronger surface organometallic electrophiles and for this reason have higher benzene hydrogenation activity. Benzene selective hydrogenation, a potential approach for carcinogenic benzene removal from gasoline, is probed using benzene/toluene mixtures, and selectivities for benzene hydrogenation vary with catalyst as ZrBz3+/ZrS–, 83% > Cp*ZrMe2+/ZrS–, 80% > Cp*ZrBz2+/ZrS–, 67% > Cp*ZrPh2+/ZrS–, 57%. For Cp*ZrBz2+/ZrS–, which displays the highest benzene hydrogenation activity with moderate selectivity in benzene/toluene mixtures. Other benzene/arene mixtures are examined, and benzene selectivities vary with arene as mesitylene, 99%, > ethylbenzene, 86% > toluene, 67%. Structural and computational studies by solid-state NMR spectroscopy, XAS, and periodic DFT methods applied to supported Cp*ZrMe3 and Cp*ZrBz3 indicate that larger Zr···surface distances are present in more sterically encumbered Cp*ZrBz2+/AlS– vs Cp*ZrMe2+/AlS–. Furthermore, the combined XAS, solid state NMR, and DFT data argue that the bulky catalyst benzyl groups expand the “cationic” metalmore » center–anionic sulfated oxide surface distances, and this separation/weakened ion-pairing enables the activation/insertion of more sterically encumbered arenes and influences hydrogenation rates and selectivity patterns.« less

Authors:
 [1];  [1];  [2];  [2];  [3];  [4];  [4];  [4];  [5];  [6];  [1];  [1]
+ Show Author Affiliations
  1. Department of Chemistry, Northwestern University, Evanston, Illinois 60208, United States
  2. Exploratory Catalysis Research, UOP LLC, a Honeywell Company, 25 East Algonquin Road, Des Plaines, Illinois 60017, United States
  3. Dipartimento di Chimica, Universita’ degli Studi di Roma “La Sapienza” and INSTM UdR Roma, p.le A. Moro 5, I-00185, Roma, Italy
  4. Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne, Illinois 60439 United States
  5. U.S. DOE Ames Laboratory, Iowa State University, Ames, Iowa 50011-3020, United States
  6. U.S. DOE Ames Laboratory, Iowa State University, Ames, Iowa 50011-3020, United States, Department of Chemistry, Iowa State University, Ames, Iowa 50011-3020, United States
Publication Date:
Research Org.:
Argonne National Laboratory (ANL), Argonne, IL (United States); Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1179606
Alternate Identifier(s):
OSTI ID: 1214127; OSTI ID: 1234445
Report Number(s):
IS-J-8692
Journal ID: ISSN 0002-7863
Grant/Contract Number:  
AC02-06CH11357; FG02-86ER13511; AC02-07CH11358
Resource Type:
Published Article
Journal Name:
Journal of the American Chemical Society
Additional Journal Information:
Journal Name: Journal of the American Chemical Society Journal Volume: 137 Journal Issue: 21; Journal ID: ISSN 0002-7863
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Gu, Weixing, Stalzer, Madelyn Marie, Nicholas, Christopher P., Bhattacharyya, Alak, Motta, Alessandro, Gallagher, James R., Zhang, Guanghui, Miller, Jeffrey T., Kobayashi, Takeshi, Pruski, Marek, Delferro, Massimiliano, and Marks, Tobin J. Benzene Selectivity in Competitive Arene Hydrogenation: Effects of Single-Site Catalyst···Acidic Oxide Surface Binding Geometry. United States: N. p., 2015. Web. doi:10.1021/jacs.5b03254.
Copy to clipboard
Gu, Weixing, Stalzer, Madelyn Marie, Nicholas, Christopher P., Bhattacharyya, Alak, Motta, Alessandro, Gallagher, James R., Zhang, Guanghui, Miller, Jeffrey T., Kobayashi, Takeshi, Pruski, Marek, Delferro, Massimiliano, & Marks, Tobin J. Benzene Selectivity in Competitive Arene Hydrogenation: Effects of Single-Site Catalyst···Acidic Oxide Surface Binding Geometry. United States. https://doi.org/10.1021/jacs.5b03254
Copy to clipboard
Gu, Weixing, Stalzer, Madelyn Marie, Nicholas, Christopher P., Bhattacharyya, Alak, Motta, Alessandro, Gallagher, James R., Zhang, Guanghui, Miller, Jeffrey T., Kobayashi, Takeshi, Pruski, Marek, Delferro, Massimiliano, and Marks, Tobin J. Thu . "Benzene Selectivity in Competitive Arene Hydrogenation: Effects of Single-Site Catalyst···Acidic Oxide Surface Binding Geometry". United States. https://doi.org/10.1021/jacs.5b03254.
Copy to clipboard
@article{osti_1179606,
title = {Benzene Selectivity in Competitive Arene Hydrogenation: Effects of Single-Site Catalyst···Acidic Oxide Surface Binding Geometry},
author = {Gu, Weixing and Stalzer, Madelyn Marie and Nicholas, Christopher P. and Bhattacharyya, Alak and Motta, Alessandro and Gallagher, James R. and Zhang, Guanghui and Miller, Jeffrey T. and Kobayashi, Takeshi and Pruski, Marek and Delferro, Massimiliano and Marks, Tobin J.},
abstractNote = {Organozirconium complexes are chemisorbed on Brønsted acidic sulfated ZrO2 (ZrS), sulfated Al2O3 (AlS), and ZrO2–WO3 (ZrW). Under mild conditions (25 °C, 1 atm H2), the supported Cp*ZrMe3, Cp*ZrBz3, and Cp*ZrPh3 catalysts are very active for benzene hydrogenation with activities declining with decreasing acidity, ZrS >> AlS ≈ ZrW, arguing that more Brønsted acidic oxides (those having weaker corresponding conjugate bases) yield stronger surface organometallic electrophiles and for this reason have higher benzene hydrogenation activity. Benzene selective hydrogenation, a potential approach for carcinogenic benzene removal from gasoline, is probed using benzene/toluene mixtures, and selectivities for benzene hydrogenation vary with catalyst as ZrBz3+/ZrS–, 83% > Cp*ZrMe2+/ZrS–, 80% > Cp*ZrBz2+/ZrS–, 67% > Cp*ZrPh2+/ZrS–, 57%. For Cp*ZrBz2+/ZrS–, which displays the highest benzene hydrogenation activity with moderate selectivity in benzene/toluene mixtures. Other benzene/arene mixtures are examined, and benzene selectivities vary with arene as mesitylene, 99%, > ethylbenzene, 86% > toluene, 67%. Structural and computational studies by solid-state NMR spectroscopy, XAS, and periodic DFT methods applied to supported Cp*ZrMe3 and Cp*ZrBz3 indicate that larger Zr···surface distances are present in more sterically encumbered Cp*ZrBz2+/AlS– vs Cp*ZrMe2+/AlS–. Furthermore, the combined XAS, solid state NMR, and DFT data argue that the bulky catalyst benzyl groups expand the “cationic” metal center–anionic sulfated oxide surface distances, and this separation/weakened ion-pairing enables the activation/insertion of more sterically encumbered arenes and influences hydrogenation rates and selectivity patterns.},
doi = {10.1021/jacs.5b03254},
journal = {Journal of the American Chemical Society},
number = 21,
volume = 137,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2015},
month = {Thu Apr 30 00:00:00 EDT 2015}
}
Copy to clipboard
Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1021/jacs.5b03254
Copyright Statement
Other availability
Search WorldCat Search WorldCat to find libraries that may hold this journal
Citation Metrics:
Cited by: 62 works
Citation information provided by
Web of Science
Save / Share:
Export Metadata
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.

Works referenced in this record:

Zeolite supported platinum catalysts for benzene hydrogenation and naphthene isomerization
journal, May 2011

Selective conversion of butane into liquid hydrocarbon fuels on alkane metathesis catalysts
journal, January 2012

  • Szeto, Kai C.; Hardou, Lucie; Merle, Nicolas
  • Catalysis Science & Technology, Vol. 2, Issue 7
  • DOI: 10.1039/c2cy20150j

Gamma-alumina: An Active Support to Obtain Immobilized Electron Poor Zr Complexes
journal, March 2008

  • Joubert, Jérôme; Delbecq, Françoise; Copéret, Christophe
  • Topics in Catalysis, Vol. 48, Issue 1-4
  • DOI: 10.1007/s11244-008-9043-x

Zirconium Hydrocarbyl Chemisorption on Sulfated Metal Oxides:  New Supports, Chemisorption Pathways, and Implications for Catalysis
journal, October 2004

  • Nicholas, Christopher P.; Marks, Tobin J.
  • Langmuir, Vol. 20, Issue 22
  • DOI: 10.1021/la0492106

Alkyl and hydride derivatives of (pentamethylcyclopentadienyl)zirconium(IV)
journal, June 1982

  • Wolczanski, Peter T.; Bercaw, John E.
  • Organometallics, Vol. 1, Issue 6
  • DOI: 10.1021/om00066a006

Molecular nature of support effects in single-site heterogeneous catalysts: silica vs. alumina
journal, January 2011

  • Rascón, Fernando; Wischert, Raphael; Copéret, Christophe
  • Chemical Science, Vol. 2, Issue 8
  • DOI: 10.1039/c1sc00073j

Identification of kinetic models of heterogeneously catalyzed reactions
journal, February 2002

Indirectly detected heteronuclear correlation solid-state NMR spectroscopy of naturally abundant 15N nuclei
journal, February 2014

  • Althaus, Stacey M.; Mao, Kanmi; Stringer, John A.
  • Solid State Nuclear Magnetic Resonance, Vol. 57-58
  • DOI: 10.1016/j.ssnmr.2013.11.001

Successive Heterolytic Cleavages of H 2 Achieve N 2 Splitting on Silica-Supported Tantalum Hydrides: A DFT Proposed Mechanism
journal, June 2012

  • Solans-Monfort, Xavier; Chow, Catherine; Gouré, Eric
  • Inorganic Chemistry, Vol. 51, Issue 13
  • DOI: 10.1021/ic300498b

Electron-Deficient Group 4 Metal Complexes of Sulfur-Bridged Dialkoxide Ligands:  Synthesis, Structure, and Polymerization Activity Studies
journal, September 2005

  • Lavanant, Laurent; Silvestru, Anca; Faucheux, Anne
  • Organometallics, Vol. 24, Issue 23
  • DOI: 10.1021/om050560c

Highly selective benzene hydrogenation to cyclohexene over supported Ru catalyst without additives
journal, January 2011

  • Liu, Huizhen; Jiang, Tao; Han, Buxing
  • Green Chemistry, Vol. 13, Issue 5
  • DOI: 10.1039/c0gc00959h

Synthesis, Spectroscopy, and Catalytic Properties of Cationic Organozirconium Adsorbates on “Super Acidic” Sulfated Alumina. “Single-Site” Heterogeneous Catalysts with Virtually 100 Active Sites
journal, April 2003

  • Nicholas, Christopher P.; Ahn, Hongsang; Marks, Tobin J.
  • Journal of the American Chemical Society, Vol. 125, Issue 14
  • DOI: 10.1021/ja0212213

Supported Single-Site Organometallic Catalysts for the Synthesis of High-Performance Polyolefins
journal, November 2014

  • Stalzer, Madelyn M.; Delferro, Massimiliano; Marks, Tobin J.
  • Catalysis Letters, Vol. 145, Issue 1, p. 3-14
  • DOI: 10.1007/s10562-014-1427-x

Understanding Tantalum-Catalyzed Ethylene Trimerization: When Things Go Wrong
journal, April 2013

  • Chen, Yin; Credendino, Raffaele; Callens, Emmanuel
  • ACS Catalysis, Vol. 3, Issue 6
  • DOI: 10.1021/cs400349p

On the Fate of Silica-Supported Half-Metallocene Cations: Elucidating a Catalyst’s Deactivation Pathways
journal, June 2012

  • Popoff, Nicolas; Gauvin, Régis M.; De Mallmann, Aimery
  • Organometallics, Vol. 31, Issue 13
  • DOI: 10.1021/om3003224

Hafnium-Hydride Complexes Anchored to Silica. Catalysts of the Low Temperature Hydrogenolysis of Alkanes and Hydrogenation of Olefins
journal, November 1993

  • Ornelas, Lindora d’; Reyes, Sheila; Quignard, Françoise
  • Chemistry Letters, Vol. 22, Issue 11
  • DOI: 10.1246/cl.1993.1931

NOE and PGSE NMR Spectroscopic Studies of Solution Structure and Aggregation in Metallocenium Ion-Pairs
journal, February 2004

  • Zuccaccia, Cristiano; Stahl, Nicholas G.; Macchioni, Alceo
  • Journal of the American Chemical Society, Vol. 126, Issue 5
  • DOI: 10.1021/ja0387296

Homogeneous and Heterogeneous Catalysis: Bridging the Gap through Surface Organometallic Chemistry
journal, January 2003

  • Copéret, Christophe; Chabanas, Mathieu; Petroff Saint-Arroman, Romain
  • Angewandte Chemie International Edition, Vol. 42, Issue 2, p. 156-181
  • DOI: 10.1002/anie.200390072

Adsorption and Photoadsorption States of Benzene Derivatives on Titanium Oxide Studied by NMR
journal, July 2011

  • Yuzawa, Hayato; Aoki, Masanori; Itoh, Hideaki
  • The Journal of Physical Chemistry Letters, Vol. 2, Issue 15
  • DOI: 10.1021/jz200621w

Electron-deficient group IV metal alkyl cations, and the synthesis of Zr(CH 2 Ph) 3 (η 6 -C 6 H 5 )BPh 3 : a fluxional arene π-complex of a d 0 metal
journal, January 1990

  • Bochmann, Manfred; Karger, Gerhard; Jaggar, Andrew J.
  • J. Chem. Soc., Chem. Commun., Issue 15
  • DOI: 10.1039/C39900001038

[(SiO)Ta V Cl 2 Me 2 ]: A Well-Defined Silica-Supported Tantalum(V) Surface Complex as Catalyst Precursor for the Selective Cocatalyst-Free Trimerization of Ethylene
journal, October 2012

  • Chen, Yin; Callens, Emmanuel; Abou-Hamad, Edy
  • Angewandte Chemie International Edition, Vol. 51, Issue 47
  • DOI: 10.1002/anie.201206272

Radiative Association Kinetics and Binding Energies of Chromium Ions with Benzene and Benzene Derivatives
journal, June 1997

  • Lin, Chuan-Yuan; Dunbar, Robert C.
  • Organometallics, Vol. 16, Issue 12
  • DOI: 10.1021/om960949n

Express method for total content assessment of aromatic hydrocarbons and oxygen in finished gasolines by refractometry and densimetry
journal, February 2015

Compensation behaviour in the hydrogenation of benzene, toluene and o-xylene over Ni/SiO2. Determination of true activation energies
journal, January 1996

  • Keane, Mark A.; Patterson, Patricia M.
  • Journal of the Chemical Society, Faraday Transactions, Vol. 92, Issue 8
  • DOI: 10.1039/ft9969201413

Cationic Metallocene Polymerization Catalysts. Synthesis and Properities of the First Base-Free Zirconocene Hydride
journal, October 1992

  • Yang, Xinmim; Stern, Charlotte L.; Marks, Tobin J.
  • Angewandte Chemie International Edition in English, Vol. 31, Issue 10
  • DOI: 10.1002/anie.199213751

Zinc(II) η 1 - and η 2 -Toluene Complexes:  Structure and Bonding in Zn(C 6 F 5 ) 2 ·(toluene) and Zn(C 6 F 4 -2-C 6 F 5 ) 2 ·(toluene)
journal, July 2006

  • Guerrero, Antonio; Martin, Eddy; Hughes, David L.
  • Organometallics, Vol. 25, Issue 14
  • DOI: 10.1021/om060429k

Benzene reduction in gasoline by alkylation with olefins: Comparison of Beta and MCM-22 catalysts
journal, January 2012

  • Laredo, Georgina C.; Castillo, J. Jesus; Navarrete-Bolaños, Juan
  • Applied Catalysis A: General, Vol. 413-414
  • DOI: 10.1016/j.apcata.2011.11.001

Shifting From Ziegler-Natta to Philips-Type Catalyst? A Simple and Safe Access to Reduced Titanium Systems for Ethylene Polymerization
journal, September 2011

  • Popoff, Nicolas; Espinas, Jeff; Gouré, Eric
  • Macromolecular Rapid Communications, Vol. 32, Issue 23
  • DOI: 10.1002/marc.201100477

Synthesis, crystal structure, and olefin polymerization activity of a zwitterionic .eta.6-arene zirconium tris(hydrocarbyl)
journal, February 1993

  • Pellecchia, Claudio; Grassi, Alfonso; Immirzi, Attilio
  • Journal of the American Chemical Society, Vol. 115, Issue 3
  • DOI: 10.1021/ja00056a057

Highly Variable Zr–CH2–Ph Bond Angles in Tetrabenzylzirconium: Analysis of Benzyl Ligand Coordination Modes
journal, November 2012

  • Rong, Yi; Al-Harbi, Ahmed; Parkin, Gerard
  • Organometallics, Vol. 31, Issue 23, p. 8208-8217
  • DOI: 10.1021/om300820b

Links Between Single-Site Heterogeneous and Homogeneous Catalysis. DFT Analysis of Pathways for Organozirconium Catalyst Chemisorptive Activation and Olefin Polymerization on γ-Alumina
journal, November 2008

  • Motta, Alessandro; Fragalà, Ignazio L.; Marks, Tobin J.
  • Journal of the American Chemical Society, Vol. 130, Issue 49
  • DOI: 10.1021/ja802439u

Surface-bound metal hydrocarbyls. Organometallic connections between heterogeneous and homogeneous catalysis
journal, February 1992

UOP Platforming leading octane technology into the 1990's
journal, December 1993

Constraining Asymmetric Organometallic Catalysts within Mesoporous Supports Boosts Their Enantioselectivity
journal, December 2003

  • Raja, Robert; Thomas, John Meurig; Jones, Matthew D.
  • Journal of the American Chemical Society, Vol. 125, Issue 49
  • DOI: 10.1021/ja030381r

Investigation of active metal species formation in Pd-promoted sulfated zirconia isomerization catalyst
journal, October 2010

  • Belskaya, Olga B.; Danilova, Irina G.; Kazakov, Maxim O.
  • Applied Catalysis A: General, Vol. 387, Issue 1-2
  • DOI: 10.1016/j.apcata.2010.07.052

Surface Organometallic Chemistry of Hf(CH 2 t Bu) 4 on Silica and Silica−Alumina: Reaction of the Resulting Grafted Hafnium Neopentyl with Dihydrogen
journal, March 2010

  • Tosin, Géraldine; Delgado, Marco; Baudouin, Anne
  • Organometallics, Vol. 29, Issue 6
  • DOI: 10.1021/om900258q

Catalytic Hydrogenolysis and Isomerization of Light Alkanes over the Silica-Supported Titanium Hydride Complex (⋮SiO) 3 TiH
journal, December 1997

  • Rosier, Cécile; Niccolai, Gerald P.; Basset, Jean-Marie
  • Journal of the American Chemical Society, Vol. 119, Issue 50
  • DOI: 10.1021/ja972488i

Oxo/Imido Heterometathesis Reactions Catalyzed by a Silica-Supported Tantalum Imido Complex
journal, June 2013

  • Zhizhko, Pavel A.; Zhizhin, Anton A.; Belyakova, Olga A.
  • Organometallics, Vol. 32, Issue 13
  • DOI: 10.1021/om4001499

Enantioselective Hydrogenation of Aromatic Ketones Catalyzed by a Mesoporous Silica‐Supported Iridium Catalyst
journal, July 2008

  • Liu, Guohua; Yao, Mei; Wang, Jianyao
  • Advanced Synthesis & Catalysis, Vol. 350, Issue 10
  • DOI: 10.1002/adsc.200800110

Cationic Zirconocene Olefin Polymerization Catalysts Based on the Organo-Lewis Acid Tris(pentafluorophenyl)borane. A Synthetic,Structural, Solution Dynamic, and Polymerization Catalytic Study
journal, November 1994

  • Yang, Xinmin; Stern, Charlotte L.; Marks, Tobin J.
  • Journal of the American Chemical Society, Vol. 116, Issue 22
  • DOI: 10.1021/ja00101a022

Learning from the Neighbors: Improving Homogeneous Catalysts with Functional Ligands Motivated by Heterogeneous and Biocatalysis
journal, February 2012

  • Askevold, Bjorn; Roesky, Herbert W.; Schneider, Sven
  • ChemCatChem, Vol. 4, Issue 3
  • DOI: 10.1002/cctc.201100347

Catalysis and Surface Organometallic Chemistry: A View from Theory and Simulations
journal, March 2010

  • Sautet, Philippe; Delbecq, Françoise
  • Chemical Reviews, Vol. 110, Issue 3
  • DOI: 10.1021/cr900295b

Grafting Reaction of Platinum Organometallic Complexes on Silica-Supported or Unsupported Heteropolyacids
journal, April 2011

  • Legagneux, Nicolas; Jeanneau, Erwann; Thomas, Amélie
  • Organometallics, Vol. 30, Issue 7
  • DOI: 10.1021/om1003539

Mesostructured Hybrid Organic–Silica Materials: Ideal Supports for Well-Defined Heterogeneous Organometallic Catalysts
journal, April 2014

  • Conley, Matthew P.; Copéret, Christophe; Thieuleux, Chloé
  • ACS Catalysis, Vol. 4, Issue 5
  • DOI: 10.1021/cs500262t

Surface structural-chemical characterization of a single-site d0 heterogeneous arene hydrogenation catalyst having 100% active sites
journal, December 2012

  • Williams, L. A.; Guo, N.; Motta, A.
  • Proceedings of the National Academy of Sciences, Vol. 110, Issue 2
  • DOI: 10.1073/pnas.1220240110

Revisiting the Metathesis of 13 C-Monolabeled Ethane
journal, December 2010

  • Maury, Olivier; Lefort, Laurent; Vidal, Véronique
  • Organometallics, Vol. 29, Issue 23
  • DOI: 10.1021/om100542k

C−H Bond Activation and Organometallic Intermediates on Isolated Metal Centers on Oxide Surfaces
journal, February 2010

A Kinetic Study of Ethylene and 1-Hexene Homo- and Copolymerization Catalyzed by a Silica-Supported Cr(IV) Complex:  Evidence for Propagation by a Migratory Insertion Mechanism
journal, September 2000

  • Amor Nait Ajjou, Jamila; Scott, Susannah L.
  • Journal of the American Chemical Society, Vol. 122, Issue 37
  • DOI: 10.1021/ja001693m

Design Strategies for the Molecular Level Synthesis of Supported Catalysts
journal, August 2011

  • Wegener, Staci L.; Marks, Tobin J.; Stair, Peter C.
  • Accounts of Chemical Research, Vol. 45, Issue 2
  • DOI: 10.1021/ar2001342

Development of the first well-defined tungsten oxo alkyl derivatives supported on silica by SOMC: towards a model of WO3/SiO2 olefin metathesis catalyst
journal, January 2010

  • Mazoyer, Etienne; Merle, Nicolas; Mallmann, Aimery de
  • Chemical Communications, Vol. 46, Issue 47
  • DOI: 10.1039/c0cc02507k

A well-defined silica-supported aluminium alkyl through an unprecedented, consecutive two-step protonolysis–alkyl transfer mechanism
journal, January 2011

  • Pelletier, Jérémie; Espinas, Jeff; Vu, Nghiem
  • Chemical Communications, Vol. 47, Issue 10
  • DOI: 10.1039/c0cc04986g

Quantitative Investigation of a Hybrid Ziegler–Natta Catalyst Support Prepared by Grafting Di( n ‐butyl)magnesium onto Partially Dehydroxylated Silica
journal, March 2011

  • Lee, Ming‐Yung; Scott, Susannah L.
  • Chemistry – A European Journal, Vol. 17, Issue 16
  • DOI: 10.1002/chem.201002576

Acidity of Mesoporous MoO x /ZrO 2 and WO x /ZrO 2 Materials:  A Combined Solid-State NMR and Theoretical Calculation Study
journal, June 2006

  • Xu, Jun; Zheng, Anmin; Yang, Jun
  • The Journal of Physical Chemistry B, Vol. 110, Issue 22
  • DOI: 10.1021/jp0614087

Preparation of Group 4B complexes containing tri-tert-butylmethoxide (tritox), a steric cyclopentadienyl equivalent
journal, July 1984

  • Lubben, Timothy V.; Wolczanski, Peter T.; Van Duyne, Gregory D.
  • Organometallics, Vol. 3, Issue 7
  • DOI: 10.1021/om00085a004

Synthesis of solid superacid of tungsten oxide supported on zirconia and its catalytic action for reactions of butane and pentane
journal, January 1988

  • Hino, Makoto; Arata, Kazushi
  • Journal of the Chemical Society, Chemical Communications, Issue 18
  • DOI: 10.1039/c39880001259

Synthesis, Characterization, and Catalytic Properties of Novel Single-Site and Nanosized Platinum Catalysts
journal, July 2012

  • Bonati, Matteo L. M.; Douglas, Thomas M.; Gaemers, Sander
  • Organometallics, Vol. 31, Issue 15
  • DOI: 10.1021/om200778r

Nonlinear Temperature Behavior of Product Ratios in Selection Processes
journal, September 1996

  • Heller, Detlef; Buschmann, Helmut; Scharf, Hans-Dieter
  • Angewandte Chemie International Edition in English, Vol. 35, Issue 16
  • DOI: 10.1002/anie.199618521

Synthesis and Structure of Zirconium and Hafnium Polymerisation Catalysts Stabilised by Very Bulky Aminopyridinato Ligands
journal, November 2008

  • Noor, Awal; Kretschmer, Winfried P.; Glatz, Germund
  • European Journal of Inorganic Chemistry, Vol. 2008, Issue 32
  • DOI: 10.1002/ejic.200800580

Improved Syntheses for the Compounds [(1,5-COD)M(μ-O 2 C 8 H 15 )] 2 (M = Ir, Rh)
journal, September 2011

  • Yih, Kuang-Hway; Alley, William M.; Finke, Richard G.
  • Organometallics, Vol. 30, Issue 18
  • DOI: 10.1021/om2003249

Sulfated Tin Oxide Nanoparticles as Supports for Molecule-Based Olefin Polymerization Catalysts
journal, August 2004

  • Nicholas, Christopher P.; Marks, Tobin J.
  • Nano Letters, Vol. 4, Issue 8
  • DOI: 10.1021/nl049255r

Studies of Organically Functionalized Mesoporous Silicas Using Heteronuclear Solid-State Correlation NMR Spectroscopy under Fast Magic Angle Spinning
journal, May 2005

  • Trebosc, Julien; Wiench, Jerzy W.; Huh, Seong
  • Journal of the American Chemical Society, Vol. 127, Issue 20
  • DOI: 10.1021/ja0509127

Origin of the ZnCl2 Effect on CH3ReO3/γ-Al2O3 in Olefin Metathesis
journal, June 2012

  • Tovar, Trenton M.; Stewart, S. Michael; Scott, Susannah L.
  • Topics in Catalysis, Vol. 55, Issue 7-10
  • DOI: 10.1007/s11244-012-9831-1

Preparation of Rhodium Catalysts Supported on Carbon Nanotubes by a Surface Mediated Organometallic Reaction
journal, February 2003

  • Giordano, Roberto; Serp, Philippe; Kalck, Philippe
  • European Journal of Inorganic Chemistry, Vol. 2003, Issue 4
  • DOI: 10.1002/ejic.200390083

“Hydro‐metathesis” of Olefins: A Catalytic Reaction Using a Bifunctional Single‐Site Tantalum Hydride Catalyst Supported on Fibrous Silica (KCC‐1) Nanospheres
journal, March 2011

  • Polshettiwar, Vivek; Thivolle‐Cazat, Jean; Taoufik, Mostafa
  • Angewandte Chemie International Edition, Vol. 50, Issue 12
  • DOI: 10.1002/anie.201007254

External Surface Catalytic Sites of Surfactant-Tailored Nanomorphic Zeolites for Benzene Isopropylation to Cumene
journal, January 2013

  • Kim, Wookdong; Kim, Jeong-Chul; Kim, Jeongnam
  • ACS Catalysis, Vol. 3, Issue 2
  • DOI: 10.1021/cs300678n

Quantitative Determination of BTEX and Total Aromatic Compounds in Gasoline by Comprehensive Two-Dimensional Gas Chromatography (GC×GC)
journal, April 1999

Synthesis, Characterization, and Activity in Ethylene Polymerization of Silica Supported Cationic Cyclopentadienyl Zirconium Complexes
journal, June 2006

  • Millot, Nicolas; Soignier, Sophie; Santini, Catherine C.
  • Journal of the American Chemical Society, Vol. 128, Issue 29
  • DOI: 10.1021/ja060420+

A Silica-Supported Double-Decker Silsesquioxane Provides a Second Skin for the Selective Generation of Bipodal Surface Organometallic Complexes
journal, October 2012

  • Espinas, Jeff; Pelletier, Jérémie D. A.; Abou-Hamad, Edy
  • Organometallics, Vol. 31, Issue 21
  • DOI: 10.1021/om300918v

How to Conceptualize Catalytic Cycles? The Energetic Span Model
journal, February 2011

  • Kozuch, Sebastian; Shaik, Sason
  • Accounts of Chemical Research, Vol. 44, Issue 2
  • DOI: 10.1021/ar1000956

Spectroscopically Distinct Sites Present in Methyltrioxorhenium Grafted onto Silica−Alumina, and Their Abilities to Initiate Olefin Metathesis
journal, July 2007

  • Moses, Anthony W.; Raab, Christina; Nelson, Ryan C.
  • Journal of the American Chemical Society, Vol. 129, Issue 28
  • DOI: 10.1021/ja072707s

Pd/Al2O3 catalyst for selective hydrogenation of benzene in benzene–toluene mixture
journal, March 2009

  • Mashkovsky, Igor S.; Baeva, Galina N.; Stakheev, Aleksandr Yu.
  • Mendeleev Communications, Vol. 19, Issue 2
  • DOI: 10.1016/j.mencom.2009.03.020

Agostic Interaction of the Smallest Zirconium Methylidene Hydride: Reproduction of the Distorted Structure Experimentally Observed in Matrix Infrared Spectra
journal, February 2009

  • Cho, Han-Gook; Cheong, Byeong-Seo
  • Bulletin of the Korean Chemical Society, Vol. 30, Issue 2, p. 479-481
  • DOI: 10.5012/bkcs.2009.30.2.479

Ziegler-type hydrogenation catalysts made from group 8–10 transition metal precatalysts and AlR3 cocatalysts: A critical review of the literature
journal, January 2010

  • Alley, William M.; Hamdemir, Isil K.; Johnson, Kimberly A.
  • Journal of Molecular Catalysis A: Chemical, Vol. 315, Issue 1
  • DOI: 10.1016/j.molcata.2009.07.007

Effects of Reformulated Gasoline and Motor Vehicle Fleet Turnover on Emissions and Ambient Concentrations of Benzene
journal, August 2006

  • Harley, Robert A.; Hooper, Daniel S.; Kean, Andrew J.
  • Environmental Science & Technology, Vol. 40, Issue 16
  • DOI: 10.1021/es0604820

The Surface Structure of Sulfated Zirconia:  Periodic ab Initio Study of Sulfuric Acid Adsorbed on ZrO 2 (101) and ZrO 2 (001)
journal, December 1998

  • Haase, Frank; Sauer, Joachim
  • Journal of the American Chemical Society, Vol. 120, Issue 51
  • DOI: 10.1021/ja9825534

Indirectly detected through-bond chemical shift correlation NMR spectroscopy in solids under fast MAS: Studies of organic–inorganic hybrid materials
journal, January 2009

  • Mao, Kanmi; Wiench, Jerzy W.; Lin, Victor S. -Y.
  • Journal of Magnetic Resonance, Vol. 196, Issue 1
  • DOI: 10.1016/j.jmr.2008.10.010

Chemical Shift Correlation NMR Spectroscopy with Indirect Detection in Fast Rotating Solids:  Studies of Organically Functionalized Mesoporous Silicas
journal, September 2007

  • Wiench, Jerzy W.; Bronnimann, Charles E.; Lin, Victor S. -Y
  • Journal of the American Chemical Society, Vol. 129, Issue 40, p. 12076-12077
  • DOI: 10.1021/ja074746+

Benzene Reduction by Alkylation in a Solid Phosphoric Acid Catalyzed Olefin Oligomerization Process
journal, August 2008

  • Sakuneka, Tebogo M.; Nel, Reinier J. J.; de Klerk, Arno
  • Industrial & Engineering Chemistry Research, Vol. 47, Issue 19
  • DOI: 10.1021/ie800672p

Recent developments in the surface and catalytic chemistry of supported organoactinides
journal, January 1994

Competitive Hydrogenation of Benzene and Toluene on Palladium and Platinum Catalysts
journal, July 1996

Polymerization of α-olefins and Hydrogenolysis of the Resulting Polyolefins with Hafnium Hydrides Supported on Silica
journal, April 2009

  • Tosin, Géraldine; Santini, Catherine C.; Basset, Jean-Marie
  • Topics in Catalysis, Vol. 52, Issue 9
  • DOI: 10.1007/s11244-009-9267-4

Heterogenization of Lanthanum and Neodymium Monophosphacyclopentadienyl Bis(tetramethylaluminate) Complexes onto Periodic Mesoporous Silica SBA-15
journal, August 2012

  • Le Roux, Erwan; Liang, Yucang; Törnroos, Karl W.
  • Organometallics, Vol. 31, Issue 18
  • DOI: 10.1021/om300168s

Atom-efficient regioselective 1,2-dearomatization of functionalized pyridines by an earth-abundant organolanthanide catalyst
journal, October 2014

  • Dudnik, Alexander S.; Weidner, Victoria L.; Motta, Alessandro
  • Nature Chemistry, Vol. 6, Issue 12
  • DOI: 10.1038/nchem.2087

Surface Structure of Hydroxylated and Sulfated Zirconia. A Periodic Density-Functional Study †
journal, September 2004

  • Hofmann, Alexander; Sauer, Joachim
  • The Journal of Physical Chemistry B, Vol. 108, Issue 38
  • DOI: 10.1021/jp049220f

Design and Application of a Hybrid Material Featuring Well-Defined, Tuneable Grafting Sites for Supported Catalysis.
journal, March 2013

  • Popoff, Nicolas; Espinas, Jeff; Pelletier, Jérémie
  • ChemCatChem, Vol. 5, Issue 7
  • DOI: 10.1002/cctc.201200850

Evidence for Metal–Surface Interactions and Their Role in Stabilizing Well-Defined Immobilized Ru–NHC Alkene Metathesis Catalysts
journal, February 2013

  • Samantaray, Manoja K.; Alauzun, Johan; Gajan, David
  • Journal of the American Chemical Society, Vol. 135, Issue 8
  • DOI: 10.1021/ja311722k

Probing chemistry and kinetics of reactions in heterogeneous catalysts
journal, January 2013

  • Youngs, Tristan G. A.; Manyar, Haresh; Bowron, Daniel T.
  • Chemical Science, Vol. 4, Issue 9
  • DOI: 10.1039/c3sc51477c

Molecular Metal Catalysts on Supports: Organometallic Chemistry Meets Surface Science
journal, July 2014

  • Serna, Pedro; Gates, Bruce C.
  • Accounts of Chemical Research, Vol. 47, Issue 8
  • DOI: 10.1021/ar500170k

An investigation of catalyst/cocatalyst/support interactions in silica-supported olefin polymerization catalysts based on Cp*TiMe3*
journal, May 2005

  • Scott, Susannah L.; Church, Tamara L.; Nguyen, Dao Hinh
  • Topics in Catalysis, Vol. 34, Issue 1-4
  • DOI: 10.1007/s11244-005-3804-6

Conformations of Silica-Bound (Pentafluorophenyl)propyl Groups Determined by Solid-State NMR Spectroscopy and Theoretical Calculations
journal, September 2010

  • Mao, Kanmi; Kobayashi, Takeshi; Wiench, Jerzy W.
  • Journal of the American Chemical Society, Vol. 132, Issue 35
  • DOI: 10.1021/ja105007b
    Sort by:
    [ × clear filter / sort ]

    Similar Records in DOE PAGES and OSTI.GOV collections: