Search Results - "Cipullo, Roberta"
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Extraction of Reliable Molecular Information from Diffusion NMR Spectroscopy: Hydrodynamic Volume or Molecular Mass?
Published in Chemistry : a European journal (25-07-2019)“…Measuring accurate translational self‐diffusion coefficients (Dt) by NMR techniques with modern spectrometers has become rather routine. In contrast, the…”
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Monitoring the Kinetics of Internal Donor Clean-up from Ziegler–Natta Catalytic Surfaces: An Integrated Experimental and Computational Study
Published in Journal of physical chemistry. C (02-07-2020)“…Surface modification of MgCl2-supported Ziegler–Natta catalysts (ZNCs) by means of organic Lewis bases, either used as precatalyst components (“internal…”
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Accelerating the Research Approach to Ziegler–Natta Catalysts
Published in Industrial & engineering chemistry research (16-03-2016)“…Despite 60 years of history and a stunning success, Ti-based Ziegler–Natta catalysts for the production of isotactic polypropylene remain black-box systems,…”
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On the Nature of the Lewis Acidic Sites in “TMA‐Free” Phenol‐Modified Methylaluminoxane
Published in European journal of inorganic chemistry (27-03-2020)“…“Structural” AlMe2(bht) was found to be an integral building block of the “TMA‐free” olefin polymerization cocatalyst MAO/BHT (TMA = trimethylaluminum, MAO =…”
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Reactivity Trends of Lewis Acidic Sites in Methylaluminoxane and Some of Its Modifications
Published in Inorganic chemistry (20-04-2020)“…The established model cluster (AlOMe)16(AlMe3)6 for methylaluminoxane (MAO) cocatalyst has been studied by density functional theory, aiming to rationalize the…”
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Methylaluminoxane’s Molecular Cousin: A Well-defined and “Complete” Al-Activator for Molecular Olefin Polymerization Catalysts
Published in ACS catalysis (16-04-2021)“…Catalytic activity in olefin polymerization depends not only on the catalyst but also, crucially, on activator/alkylator/scavenger “packages.” Along with…”
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Role of Solvent Coordination on the Structure and Dynamics of ansa -Zirconocenium Ion Pairs in Aromatic Hydrocarbons
Published in Organometallics (14-03-2022)Get full text
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Connection of Stereoselectivity, Regioselectivity, and Molecular Weight Capability in rac-R′2Si(2-Me-4-R-indenyl)2ZrCl2 Type Catalysts
Published in Macromolecules (23-10-2018)“…A set of 19 silicon-bridged C 2-symmetric zirconocenes rac-R′2Si(2-Me-4-R-indenyl)2ZrCl2 of varying steric demand in position 4 were synthesized and screened…”
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A Hydrocarbon Soluble, Molecular and "Complete" Al-Cocatalyst for High Temperature Olefin Polymerization
Published in Polymers (09-03-2023)“…The dinuclear aluminum salt {[ Bu (DMA)Al] ( -H)} [B(C F ) ] ( ; DMA = , -dimethylaniline) is the prototype of a new class of molecular cocatalysts for…”
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An Integrated High Throughput Experimentation/Predictive QSAR Modeling Approach to ansa -Zirconocene Catalysts for Isotactic Polypropylene
Published in Polymers (27-04-2020)“…Compared to heterogenous Ziegler-Natta systems (ZNS), -metallocene catalysts for the industrial production of isotactic polypropylene feature a higher…”
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Assignment of Regioirregular Sequences in the 13C NMR Spectrum of Syndiotactic Polypropylene
Published in Polymers (04-08-2018)“…The 13C NMR microstructure of a polypropylene (PP) sample is a fundamental source of information on its properties, and also a ‘fingerprint’ of the catalytic…”
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High-Throughput Screening in Olefin-Polymerization Catalysis: From Serendipitous Discovery Towards Rational Understanding
Published in Macromolecular rapid communications. (19-10-2009)“…High–throughput‐screening (HTS) tools and methods are used more and more, especially in industry, in the search for new, selective organometallic catalysts. In…”
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Chain Transfer to Solvent and Monomer in Early Transition Metal Catalyzed Olefin Polymerization: Mechanisms and Implications for Catalysis
Published in Catalysts (01-02-2021)“…Even after several decades of intense research, mechanistic studies of olefin polymerization by early transition metal catalysts continue to reveal unexpected…”
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Polypropylene “Chain Shuttling” at Enantiomorphous and Enantiopure Catalytic Species: Direct and Quantitative Evidence from Polymer Microstructure
Published in Macromolecules (30-10-2007)Get full text
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Nonconventional Catalysts for Isotactic Propene Polymerization in Solution Developed by Using High-Throughput-Screening Technologies
Published in Angewandte Chemie International Edition (12-05-2006)“…A textbook example of catalyst discovery, optimization, and commercial implementation is provided with the discovery of a class of Hf‐based non‐metallocene…”
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Hafnium vs. Zirconium, the Perpetual Battle for Supremacy in Catalytic Olefin Polymerization: A Simple Matter of Electrophilicity?
Published in Polymers (06-08-2021)“…The performance of -symmetric -hafnocene catalysts for isotactic polypropylene typically deteriorates at increasing temperature much faster than that of their…”
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Design of Stereoselective Ziegler-Natta Propene Polymerization Catalysts
Published in Proceedings of the National Academy of Sciences - PNAS (17-10-2006)“…After five decades of largely serendipitous (albeit formidable) progress, catalyst design in Ziegler-Natta olefin polymerization, i.e., the rational…”
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Intra- and Intermolecular NMR Studies on the Activation of Arylcyclometallated Hafnium Pyridyl-Amido Olefin Polymerization Precatalysts
Published in Journal of the American Chemical Society (06-08-2008)“…Pyridyl-amido catalysts have emerged recently with great promise for olefin polymerization. Insights into the activation chemistry are presented in an initial…”
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Improving the Behavior of Bis(phenoxyamine) Group 4 Metal Catalysts for Controlled Alkene Polymerization
Published in Macromolecules (23-06-2009)Get full text
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Improving the Performance of Methylalumoxane: A Facile and Efficient Method to Trap “Free” Trimethylaluminum
Published in Journal of the American Chemical Society (15-10-2003)“…The presence of “free” trimethylaluminum (TMA) in methylalumoxane (MAO) solutions can be highly detrimental to the performance of metallocene and…”
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