Flexible ligands in heterogeneous catalysts for olefin polymerization: Insights from spectroscopy

Mechanistic Study on Effect of Electron Donors in Propylene Polymerization Using the Ziegler–Natta Catalyst

(2021) Xing Guo et al.   Journal of Physical Chemistry C

Revealing the Dynamic Behaviors of Tetrahydrofuran for Tailoring the Active Species of Ziegler–Natta Catalysts

(2021) Peng Liang et al.   ACS Catalysis

DNP-SENS Formulation Protocols To Study Surface Sites in Ziegler–Natta Catalyst MgCl2 Supports Modified with Internal Donors

(2021) Alexander Yakimov et al.   Journal of Physical Chemistry C

Spectroscopic Signature and Structure of the Active Sites in Ziegler–Natta Polymerization Catalysts Revealed by Electron Paramagnetic Resonance

(2021) Anton Ashuiev et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electronic Properties of Ti Sites in Ziegler–Natta Catalysts

(2021) Alessandro Piovano et al.   ACS Catalysis

Reactivity Trends of Lewis Acidic Sites in Methylaluminoxane and Some of Its Modifications

(2020) Francesco Zaccaria et al.   INORGANIC CHEMISTRY

A Formulation Protocol with Pyridine to Enable Dynamic Nuclear Polarization Surface-Enhanced NMR Spectroscopy on Reactive Surface Sites: Case Study with Olefin Polymerization and Metathesis Catalysts

(2020) Alexander V. Yakimov et al.   Journal of Physical Chemistry Letters

Computational Assessment of Counterion Effect of Borate Anions on Ethylene Polymerization by Zirconocene and Hafnocene Catalysts

(2020) Riffat Parveen et al.   ORGANOMETALLICS

Monitoring the Kinetics of Internal Donor Clean-up from Ziegler–Natta Catalytic Surfaces: An Integrated Experimental and Computational Study

(2020) Antonio Vittoria et al.   Journal of Physical Chemistry C

Isolated Ti(III) Species on the Surface of a Pre-active Ziegler Natta Catalyst

(2020) Leonora Podvorica et al.   APPLIED MAGNETIC RESONANCE

Structure-performance relationship of Mg(OEt)2-based Ziegler-Natta catalysts

(2020) Toru Wada et al.   JOURNAL OF CATALYSIS

Structural Disorder of Mechanically Activated δ-MgCl2 Studied by Synchrotron X-ray Total Scattering and Vibrational Spectroscopy

(2020) Toru Wada et al.   Catalysts

Insight into structural distribution of heterogeneous Ziegler–Natta catalyst from non-empirical structure determination

(2020) Gentoku Takasao et al.   JOURNAL OF CATALYSIS

Products of the initial reduction of the Phillips catalyst by olefins

(2019) Jincy Joseph et al.   JOURNAL OF CATALYSIS

Entanglement Formation Mechanism in the POSS Modified Heterogeneous Ziegler–Natta Catalysts

(2019) Yuming Chen et al.   MACROMOLECULES

47,49Ti solid-state NMR and DFT study of Ziegler-Natta catalyst: Adsorption of TiCl4 molecule onto the surface of MgCl2

(2019) Takahiro Iijima et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Ziegler–Natta Catalysts: Regioselectivity and “Hydrogen Response”

(2019) Antonio Vittoria et al.   ACS Catalysis

Internal Donors in Ziegler-Natta Systems: is Reduction by AlR3 a Requirement for Donor Clean-Up?

(2018) Francesco Zaccaria et al.   ChemCatChem

Computational insights into reduction of the Phillips CrO x /SiO 2 catalyst by ethylene and CO

(2018) Maciej Gierada et al.   JOURNAL OF CATALYSIS

Spectroscopic Evidences for TiCl4/Donor Complexes on the Surface of MgCl2-Supported Ziegler–Natta Catalysts

(2018) Alessandro Piovano et al.   Journal of Physical Chemistry C

Structural Characterization of Electron Donors in Ziegler–Natta Catalysts

(2018) E. S. Merijn Blaakmeer et al.   Journal of Physical Chemistry C

Probing Interactions between Electron Donors and the Support in MgCl2-Supported Ziegler-Natta Catalysts

(2018) E.S. (Merijn) Blaakmeer et al.   Journal of Physical Chemistry C

Chain-Walking Polymerization of α-Olefins by α-Diimine Ni(II) Complexes: Effect of Reducing the Steric Hindrance of Ortho- and Para-Aryl Substituents on the Catalytic Behavior, Monomer Enchainment, and Polymer Properties

(2018) Ivana Pierro et al.   MACROMOLECULES

Computational modeling of heterogeneous Ziegler-Natta catalysts for olefins polymerization

(2018) Naeimeh Bahri-Laleh et al.   PROGRESS IN POLYMER SCIENCE

Designing catalysts for olefin polymerization and copolymerization: beyond electronic and steric tuning

(2018) Changle Chen   Nature Reviews Chemistry

Genesis of MgCl2 -based Ziegler-Natta Catalysts as Probed with Operando Spectroscopy

(2018) Alessandro Piovano et al.   CHEMPHYSCHEM

In Situ X- and Q-Band EPR Investigation of Ethylene Polymerization on Cr/SiO2 Phillips Catalyst

(2018) Elena Morra et al.   Journal of Physical Chemistry C

Photoinduced Ethylene Polymerization on the CrVI/SiO2 Phillips Catalyst

(2018) Lorenzo Mino et al.   Journal of Physical Chemistry C

The Active Sites in the Phillips Catalysts: Origins of a Lively Debate and a Vision for the Future

(2018) Elena Groppo et al.   ACS Catalysis

Ligands Make the Difference! Molecular Insights into CrVI/SiO2 Phillips Catalyst during Ethylene Polymerization

(2017) Caterina Barzan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Demystifying Ziegler–Natta Catalysts: The Origin of Stereoselectivity

(2017) Antonio Vittoria et al.   ACS Catalysis

Mechanism of Initiation in the Phillips Ethylene Polymerization Catalyst: Ethylene Activation by Cr(II) and the Structure of the Resulting Active Site

(2017) Carole Brown et al.   ACS Catalysis

Unraveling the Catalytic Synergy between Ti3+and Al3+Sites on a Chlorinated Al2O3: A Tandem Approach to Branched Polyethylene

(2016) Alessandro Piovano et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Reduction of the Phillips catalyst by various olefins: Stoichiometry, thermochemistry, reaction products and polymerization activity

(2016) Kelsey C. Potter et al.   JOURNAL OF CATALYSIS

Synergistic, reconstruction and bonding effects during the adsorption of internal electron donors and TiCl 4 on MgCl 2 surface: A periodic-DFT investigation

(2016) Sharankumar Shetty   SURFACE SCIENCE

Operando Molecular Spectroscopy During Ethylene Polymerization by Supported CrO x /SiO2 Catalysts: Active Sites, Reaction Intermediates, and Structure-Activity Relationship

(2016) Anisha Chakrabarti et al.   TOPICS IN CATALYSIS

Surface Investigation and Morphological Analysis of Structurally Disordered MgCl2 and MgCl2/TiCl4 Ziegler–Natta Catalysts

(2016) Maddalena D’Amore et al.   ACS Catalysis

Probing the Coordinative Unsaturation and Local Environment of Ti3+ Sites in an Activated High-Yield Ziegler-Natta Catalyst

(2015) Elena Morra et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Towards the design of new electron donors for Ziegler–Natta catalyzed propylene polymerization using QSPR modeling

(2015) Manussada Ratanasak et al.   POLYMER

Solid-state NMR studies of Ziegler–Natta and metallocene catalysts

(2015) Koen C.H. Tijssen et al.   SOLID STATE NUCLEAR MAGNETIC RESONANCE

Stabilization of magnesium dichloride surface defects by mono- and bidentate donors

(2015) Mikhail S. Kuklin et al.   SURFACE SCIENCE

Mechanism of Initiation in the Phillips Ethylene Polymerization Catalyst: Redox Processes Leading to the Active Site

(2015) Carole Brown et al.   ACS Catalysis

Polymerization on CO-Reduced Phillips Catalyst initiates through the C–H bond Activation of Ethylene on Cr–O Sites

(2014) Murielle F. Delley et al.   CATALYSIS LETTERS

Investigating Phthalate and 1,3-Diether Coverage and Dynamics on the (104) and (110) Surfaces of MgCl2-Supported Ziegler–Natta Catalysts

(2014) Raffaele Credendino et al.   Journal of Physical Chemistry C

Modeling Coadsorption of Titanium Tetrachloride and Bidentate Electron Donors on Magnesium Dichloride Support Surfaces

(2014) Andrey S. Bazhenov et al.   Journal of Physical Chemistry C

A study of the formation process of titanium–magnesium catalyst for propylene polymerization

(2013) N.N. Chumachenko et al.   APPLIED CATALYSIS A-GENERAL

Cr-doped porous silica glass as a model material to describe Phillips catalyst properties

(2013) Andriy Budnyk et al.   JOURNAL OF CATALYSIS

Coadsorption model for first-principle description of roles of donors in heterogeneous Ziegler–Natta propylene polymerization

(2012) Toshiaki Taniike et al.   JOURNAL OF CATALYSIS

Investigating Alkoxysilane Coverage and Dynamics on the (104) and (110) Surfaces of MgCl2-Supported Ziegler–Natta Catalysts

(2012) Raffaele Credendino et al.   Journal of Physical Chemistry C

In Situ ATR-FTIR Studies on MgCl2-Diisobutyl Phthalate Interactions in Thin Film Ziegler–Natta Catalysts

(2012) Ajin V. Cheruvathur et al.   LANGMUIR

The potential of spectroscopic methods applied to heterogeneous catalysts for olefinpolymerization

(2012) Elena Groppo et al.   Catalysis Science & Technology

Operando Spectroscopy: the Knowledge Bridge to Assessing Structure-Performance Relationships in Catalyst Nanoparticles

(2011) Miguel A. Bañares   ADVANCED MATERIALS

A periodic hybrid DFT approach (including dispersion) to MgCl2-supported Ziegler–Natta catalysts – 1: TiCl4 adsorption on MgCl2 crystal surfaces

(2011) Maddalena D’Amore et al.   JOURNAL OF CATALYSIS

Nickel-Catalyzed Selective Conversion of Two Different Aldehydes to Cross-Coupled Esters

(2011) Yoichi Hoshimoto et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Gas-phase phenol methylation over Mg/Me/O (Me = Al, Cr, Fe) catalysts: mechanistic implications due to different acid–base and dehydrogenating properties

(2010) V. Crocellà et al.   DALTON TRANSACTIONS

DFT Study of Lewis Base Interactions with the MgCl2 Surface in the Ziegler−Natta Catalytic System: Expanding the Role of the Donors

(2010) Kumar Vanka et al.   Journal of Physical Chemistry C

Similarities and Differences of the Active Sites in Basic and Advanced MgCl2-Supported Ziegler-Natta Propylene Polymerization Catalysts

(2010) Yuichi Hiraoka et al.   Macromolecular Reaction Engineering

Unraveling the Mechanism of Polymerization with the Phillips Catalyst

(2010) David S. McGuinness et al.   ORGANOMETALLICS

Nature of Phthalates as Internal Donors in High Performance MgCl2 Supported Titanium Catalysts

(2009) Umesh Makwana et al.   CATALYSIS LETTERS

The design of Ti-, V-, Cr-oxide single-site catalysts within zeolite frameworks and their photocatalytic reactivity for the decomposition of undesirable molecules—The role of their excited states and reaction mechanisms

(2009) Masakazu Anpo et al.   CATALYSIS TODAY

Direct evidence of adsorption induced CrII mobility on the SiO2surface upon complexation by CO

(2009) Diego Gianolio et al.   CHEMICAL COMMUNICATIONS

Supported Ziegler–Natta catalysts for propylene polymerization. Study of surface species formed at interaction of electron donors and TiCl4 with activated MgCl2

(2009) Denis V. Stukalov et al.   JOURNAL OF CATALYSIS

DRIFTS study of the interaction of the internal donor in TiCl4/di-n-butyl phthalate/MgCl2 catalysts with AlEt3 cocatalyst

(2009) A.G. Potapov et al.   JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL

Adsorption Species of Ethyl Benzoate in MgCl2-Supported Ziegler−Natta Catalysts. A Density Functional Theory Study

(2009) Denis V. Stukalov et al.   Journal of Physical Chemistry C

The role of electron donors on lateral surfaces of MgCl2-supported Ziegler–Natta catalysts: Observation by AFM and SEM

(2008) A ANDONI et al.   JOURNAL OF CATALYSIS

DRIFTS study of the interaction of the AlEt3 cocatalyst with the internal donor ethyl benzoate in supported Ziegler–Natta catalysts

(2008) A.G. Potapov et al.   JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL

On the Wavelength-Dependent Performance of Cr-Doped Silica in Selective Photo-Oxidation

(2008) Otto Berg et al.   Journal of Physical Chemistry C

Influence of Internal Donors on the Performance and Structure of MgCl2Supported Titanium Catalysts for Propylene Polymerization

(2008) Gurmeet Singh et al.   MACROMOLECULAR CHEMISTRY AND PHYSICS

Multidentate Tetrahydrofurfuryloxide Ligand in a Ziegler−Natta Catalyst Studied by Molecular Modeling

(2008) Zygmunt Flisak   MACROMOLECULES

Kinetic and morphological study of a magnesium ethoxide-based Ziegler-Natta catalyst for propylene polymerization

(2008) Ali Dashti et al.   POLYMER INTERNATIONAL

Olefin polymer technologies—History and recent progress at The Dow Chemical Company

(2008) P. Steve Chum et al.   PROGRESS IN POLYMER SCIENCE