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Zirconocene catalysts for olefin polymerization: A comparative DFT study of systems with Al- and B-containing activators
Leila Yu. Ustynyuk et al.
JOURNAL OF ORGANOMETALLIC CHEMISTRY (2012)
Nature and Structure of Aluminum Surface Sites Grafted on Silica from a Combination of High-Field Aluminum-27 Solid-State NMR Spectroscopy and First-Principles Calculations
Rachel Nathaniel Kerber et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)
Propylene Polymerization with α-Keto-β-Diimine Initiators Proceeds via Enantiomorphic Site Control
Jason D. Azoulay et al.
MACROMOLECULES (2012)
Discovery of Methylaluminoxane as Cocatalyst for Olefin Polymerization
Walter Kaminsky
MACROMOLECULES (2012)
A QSPR Investigation of Thermal Stability of [Al(CH3)O]n Oligomers in Methylaluminoxane Solution: The Identification of a Geometry-Based Descriptor
Zoubeyr Boudene et al.
ORGANOMETALLICS (2012)
Heterogenization of Lanthanum and Neodymium Monophosphacyclopentadienyl Bis(tetramethylaluminate) Complexes onto Periodic Mesoporous Silica SBA-15
Erwan Le Roux et al.
ORGANOMETALLICS (2012)
Mechanistic Investigations into the Behavior of a Labeled Zirconocene Polymerization Catalyst
Beth M. Moscato et al.
ORGANOMETALLICS (2012)
Enhancement of Chain Growth and Chain Transfer Rates in Ethylene Polymerization by (Phosphine-sulfonate)PdMe Catalysts by Binding of B(C6F5)3 to the Sulfonate Group
Zhengguo Cai et al.
ACS CATALYSIS (2012)
Low-Temperature Kinetic NMR Studies on the Insertion of a Single Olefin Molecule into a Zr?C Bond: Assessing the Counterion-Solvent Interplay
Luca Rocchigiani et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2011)
Multinuclear Olefin Polymerization Catalysts
Massimiliano Delferro et al.
CHEMICAL REVIEWS (2011)
Thermochemistry of the Initial Steps of Methylaluminoxane Formation. Aluminoxanes and Cycloaluminoxanes by Methane Elimination from Dimethylaluminum Hydroxide and its Dimeric Aggregates
Rainer Glaser et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)
Cationic Alkylaluminum-Complexed Zirconocene Hydrides: NMR-Spectroscopic Identification, Crystallographic Structure Determination, and Interconversion with Other Zirconocene Cations
Steven M. Baldwin et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)
Separating Electrophilicity and Lewis Acidity: The Synthesis, Characterization, and Electrochemistry of the Electron Deficient Tris(aryl)boranes B(C6F5)3-n(C6Cl5)n (n=1-3)
Andrew E. Ashley et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)
Structure, Dynamics, and Polymerization Activity of Zirconocenium Ion Pairs Generated with Boron-C6F5 Compounds and Al2R6
Deborah Mathis et al.
ORGANOMETALLICS (2011)
Catalyst Deactivation Reactions: The Role of Tertiary Amines Revisited
Elena Novarino et al.
ORGANOMETALLICS (2011)
Synthesis, Characterization, Interionic Structure, and Self-Aggregation Tendency of Zirconaaziridinium Salts Bearing Long Alkyl Chains
Luca Rocchigiani et al.
ORGANOMETALLICS (2011)
Counteranion Effects on the Zirconocene Polymerization Catalyst Olefin Complex from QM/MM Molecular Dynamics Simulations
Christopher N. Rowley et al.
ORGANOMETALLICS (2011)
Synthesis, Characterization, and Heterogeneous Catalytic Implementation of Sulfated Alumina Nanoparticles. Arene Hydrogenation and Olefin Polymerization Properties of Supported Organozirconium Complexes
Linda A. Williams et al.
ACS CATALYSIS (2011)
Stopped-Flow NMR: Determining the Kinetics of [rac-(C2H4(1-indenyl)2)ZrMe][MeB(C6F5)3]-Catalyzed Polymerization of 1-Hexene by Direct Observation
Matthew D. Christianson et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Mechanistic Detail Revealed via Comprehensive Kinetic Modeling of [rac-C2H4(1-indenyl)2ZrMe2]-Catalyzed 1-Hexene Polymerization
Krista A. Novstrup et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Structure-Activity Relationship in Olefin Polymerization Catalysis: Is Entropy the Key?
Gianluca Ciancaleoni et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
alpha-Iminocarboxamidato Nickel Complexes
Brycelyn M. Boardman et al.
ACCOUNTS OF CHEMICAL RESEARCH (2009)
Weakly Coordinating Cations as Alternatives to Weakly Coordinating Anions
Craig J. Price et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2009)
Nickel α-Keto-β-Diimine Initiators for Olefin Polymerization
Jason D. Azoulay et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2009)
Perfluoropentaphenylborole
Cheng Fan et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2009)
UV-visible spectroscopy for zirconocene activation by MAO in olefin polymerization: activity versus wavenumber
Carlos Alonso-Moreno et al.
APPLIED ORGANOMETALLIC CHEMISTRY (2009)
Catalyst Nuclearity Effects in Olefin Polymerization. Enhanced Activity and Comonomer Enchainment in Ethylene plus Olefin Copolymerizations Mediated by Bimetallic Group 4 Phenoxyiminato Catalysts
Michael R. Salata et al.
MACROMOLECULES (2009)
Hafnocenes and MAO: Beware of Trimethylaluminum!
Vincenzo Busico et al.
MACROMOLECULES (2009)
Chemisorption Pathways and Catalytic Olefin Polymerization Properties of Group 4 Mono- and Binuclear Constrained Geometry Complexes on Highly Acidic Sulfated Alumina
Linda A. Williams et al.
ORGANOMETALLICS (2009)
Formation of Nanotubular Methylaluminoxanes and the Nature of the Active Species in Single-Site alpha-Olefin Polymerization Catalysis
Mikko Linnolahti et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2008)
Ligand Mobility and Solution Structures of the Metallocenium Ion Pairs [Me2C(CP)(fluorenyl)MCH2SiMe3+ ••• X-] (M = Zr, Hf; X = MeB(C6F5)3, B(C6F5)4)
Carlos Alonso-Moreno et al.
ORGANOMETALLICS (2008)
Formation and Structures of Hafnocene Complexes in MAO- and AlBu3i/CPh3[B(C6F5)4]-Activated Systems
Konstantin P. Bryliakov et al.
ORGANOMETALLICS (2008)
Diverse stereocontrol effects induced by weakly coordinating anions.: Stereospecific olefin polymerization pathways at archetypal Cs- and C1-symmetric metallocenium catalysts using mono- and polynuclear halo-perfluoroarylmetalates as cocatalysts
John A. S. Roberts et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)
Sulfonic acid functionalized SBA-15 silica as a methylaluminoxane-free Cocatalyst/Support for ethylene polymerization
Jason C. Hicks et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)
Analysis of polymeric methylaluminoxane (MAO) via small angle neutron scattering
Joerg Stellbrink et al.
MACROMOLECULES (2007)
Modification of methylaluminoxane-activated ansa-zirconocene catalysts with triisobutylaluminum -: Transformations of reactive cations studied by NMR spectroscopy
Dmitrii E. Babushkin et al.
CHEMISTRY-A EUROPEAN JOURNAL (2007)
Methyaluminoxane (MAO) polymerization mechanism and kinetic model from ab initio molecular dynamics and electronic structure calculations
Lacramioara Negureanu et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
Synthesis and characterization of [(C5Me4H)2Al]+, an initiator for the polymerization of isobutene.: X-ray crystal structures of [(C5Me4H)2Al(μ-Cl)]2 and [(C5Me4H)2Al][B(C6F5)4]
Suh-Jane Lee et al.
ORGANOMETALLICS (2006)
MgCl2/R′nAl(OR)3-n:: An excellent activator/support for transition-metal complexes for olefin polymerization
Yasushi Nakayama et al.
CHEMISTRY-A EUROPEAN JOURNAL (2006)
Dynamic properties of metallocenium ion pairs in solution by atomistic Simulations
Andrea Correa et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
Diversity in weakly coordinating anions. Mono- and polynuclear halo(perfluoroaryl)metalates as cocatalysts for stereospecific olefin polymerization: Synthesis, structure, and reactivity
Ming-Chou Chen et al.
ORGANOMETALLICS (2006)
Activation of rac-Me2Si(ind)2ZrCl2 by methylalumoxane modified by aluminum alkyls:: An EPE spin-probe, 1H NMR, and polymerization study
KP Bryliakov et al.
MACROMOLECULAR CHEMISTRY AND PHYSICS (2006)
Bifunctional perfluoroaryl boranes: Synthesis and coordination chemistry with neutral Lewis base donors
PA Chase et al.
ORGANOMETALLICS (2006)
The synthesis of new weakly coordinating diborate anions: anion stability as a function of linker structure and steric bulk
Mark H. Hannant et al.
DALTON TRANSACTIONS (2006)
Are aluminoxanes nanotubular? Structural evidence from a quantum chemical study
M Linnolahti et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2006)
Methylalumoxane (MAO)-derived MeMAO(-) anions in zirconocene-based polymerization catalyst systems - A UV-Vis spectroscopic study
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MACROMOLECULAR SYMPOSIA (2006)
Structural characterization of a methylaluminoxane (MAO)-magnesium dichloride cluster:: Model of MAO grafted onto a MgCl2 support
L John et al.
INORGANIC CHEMISTRY (2005)
Bound but not gagged -: immobilizing single-site α-olefin polymerization catalysts
JR Severn et al.
CHEMICAL REVIEWS (2005)
Coordination copolymerization of severely encumbered isoalkenes with ethylene: Enhanced enchainment mediated by binuclear catalysts and cocatalysts
HB Li et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)
B(C6F5)3- vs Al(C6F5)3-derived metallocenium ion pairs.: Structural, thermochemical, and structural dynamic divergences
NG Stahl et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)
Activation of metallocenes for olefin polymerization as monitored by IR spectroscopy
JL Ellertsen et al.
INORGANIC CHEMISTRY (2005)
Ion pairing in transition-metal organometallic chemistry
A Macchioni
CHEMICAL REVIEWS (2005)
rac-Me2Si(2-Me-4-t-Bu-C5H2)2ZrMe+:: An alkyl zirconocenium cation stabilized by steric shielding against interaction with ancillary ligands
L Schröder et al.
ORGANOMETALLICS (2005)
ansa-titanocene catalysts for α-olefin polymerization.: Syntheses, structures, and reactions with methylaluminoxane and boron-based activators
KP Bryliakov et al.
ORGANOMETALLICS (2005)
Marked counteranion effects on single-site olefin polymerization processes. Correlations of ion pair structure and dynamics with polymerization activity, chain transfer, and syndioselectivity
MC Chen et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)
Tools and strategies for processing diffusion-ordered 2D NMR spectroscopy (DOSY) of a broad, featureless resonance: an application to methylaluminoxane (MAO)
JL Eilertsen et al.
ANALYTICAL AND BIOANALYTICAL CHEMISTRY (2004)
NOE and PGSE NMR spectroscopic studies of solution structure and aggregation in metallocenium ion-pairs
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JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)
Theoretical studies of aluminoxane chains, rings, cages, and nanostructures
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CHEMISTRY-A EUROPEAN JOURNAL (2004)
Non-hydrolytic route to aluminoxane-type derivative for metallocene activation towards olefin polymerisation
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MACROMOLECULAR CHEMISTRY AND PHYSICS (2004)
Ethylene homopolymerization and copolymerization with functionalized 5-norbornen-2-yl monomers by a novel nickel catalyst system
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MACROMOLECULES (2003)
Improving the performance of methylalumoxane: A facile and efficient method to trap free trimethylaluminum
V Busico et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)
Catalyst/cocatalyst nuclearity effects in single-site olefin polymerization. Significantly enhanced 1-octene and isobutene comonomer enchainment in ethylene polymerizations mediated by binuclear catalysts and cocatalysts
HB Li et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)
Zirconocene-catalyzed propene polymerization: A quenched-flow kinetic study
FQ Song et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)
1H and 13C NMR study of the intermediates formed by (Cp-R)2ZrCl2 activation with MAO and AlMe3/[CPh3][B(C6F5)4].: Correlation of spectroscopic and ethene polymerization data
KP Bryliakov et al.
MACROMOLECULAR CHEMISTRY AND PHYSICS (2003)
Metallocene polymerization catalyst ion-pair aggregation by cryoscopy and pulsed field gradient spin-echo NMR diffusion measurements
NG Stahl et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)
Synthesis, spectroscopy, and catalytic properties of cationic organozirconium adsorbates on super acidic sulfated alumina. Single-site heterogeneous catalysts with virtually 100% active sites
CP Nicholas et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)
An alternative route to methylalumoxane: Synthesis, structure, and the use of model methylalumoxanes as cocatalysts for transition metal complexes in polymerization reactions
YV Kissin et al.
MACROMOLECULES (2003)
Activation of dimethyl zirconocene by methylaluminoxane (MAO) -: Size estimate for Me-MAO- anions by pulsed field-gradient NMR
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JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2002)
Catalyst/cocatalyst nuclearity effects in single-site polymerization.: Enhanced polyethylene branching and α-olefin comonomer enchainment in polymerizations mediated by binuclear catalysts and cocatalysts via a new enchainment pathway
LT Li et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2002)
Spherical MgCl2-supported MAO pre-catalysts:: preparation, characterization and activity in ethylene polymerization
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JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL (2002)
Weakly coordinating Al-, Nb-, Ta-, Y-, and La-based perfluoroaryloxymetalate anions as cocatalyst components for single-site olefin polymerization
MV Metz et al.
ORGANOMETALLICS (2002)
Ternary metallocene catalyst systems based on metallocene dichlorides and AlBu3i/[PhNMe2H][B(C6F5)4] NMR investigations of the influence of Al/Zr ratios on alkylation and on formation of the precursor of the active metallocene species
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JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL (2002)
Theoretical study of the interactions between cations and anions in group IV transition-metal catalysts for single-site homogeneous olefin polymerization
ZT Xu et al.
ORGANOMETALLICS (2002)
Surface organozirconium electrophiles activated by chemisorption on super acidic sulfated zirconia as hydrogenation and polymerization catalysts. A synthetic, structural, and mechanistic catalytic study
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ORGANOMETALLICS (2002)
Toward the identification of dormant and active species in MAO (methylaluminoxane)-activated, dimethylzirconocene-catalyzed olefin polymerization
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ORGANOMETALLICS (2002)
DFT study of ethylene polymerization by zirconocene-boron catalytic systems. Effect of counterion on the kinetics and mechanism of the process
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ORGANOMETALLICS (2001)
Structural characterization of MAO and related aluminum complexes.: 1.: Solid-state 27Al NMR with comparison to EFG tensors from ab initio molecular orbital calculations
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JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2001)
Kinetics of initiation, propagation, and termination for the [rac-(C2H4(1-indenyl)2)ZrMe][MeB(C6F5)3]-catalyzed polymerization of 1-hexene
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JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2001)
Reaction of trimethylaluminium with main group hydroxides: a non-hydrolysis route to methylalumoxane
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JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS (2001)
Cationic aluminum alkyl complexes incorporating aminotroponiminate ligands
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JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2001)
A combined quantum mechanical and statistical mechanical study of the equilibrium of trimethylaluminum (TMA) and oligomers of (AlOCH3)n found in methylaluminoxane (MAO) solution
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INORGANIC CHEMISTRY (2001)
α-Iminocarboxamidato-Nickel(II) ethylene polymerization catalysts
BY Lee et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2001)
Synthesis, structures, and reactivity of weakly coordinating anions with delocalized berate structure: The assessment of anion effects in metallocene polymerization catalysts
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JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2001)
Modeling the dynamic equilibrium between oligomers of (AlOCH3)n in methylaluminoxane (MAO).: A theoretical study based on a combined quantum mechanical and statistical mechanical approach
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INORGANIC CHEMISTRY (2001)
New fluorinated 9-borafluorene Lewis acids
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JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2000)
Ligand exchange and alkyl abstraction involving (perfluoroaryl)boranes and -alanes with aluminum and gallium alkyls
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ORGANOMETALLICS (2000)
The mechanism of methane elimination in B(C6F5)3-Initiated monocyclopentadienyl-ketimide titanium smd related olefin polymerization catalysts
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JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2000)
Cocatalysts for metal-catalyzed olefin polymerization: Activators, activation processes, and structure-activity relationships
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CHEMICAL REVIEWS (2000)
Synthesis and structures of cationic aluminum and gallium amidinate complexes
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JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2000)
Synthesis of butene-ethylene and hexene-butene-ethylene copolymers from ethylene via tandem action of well-defined homogeneous catalysts
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JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2000)
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