Search results for "FI catalyst"
showing 3 items of 3 documents
Theoretical study of isomerism in phenoxyimine-based precursors of coordinative olefin polymerization catalysts
2010
Precursors of post-metallocene olefin polymerization catalysts, unlike their predecessors, are usually octahedral transition metal complexes with multidentate ligands. Such ligands may wrap around the central atom in many ways, thus yielding several isomeric species. For a wide range of phenoxyimine (FI) ligands with different substituents, all the theoretically predicted diastereomers of group 4 and 5 complexes are available synthetically. However, only one of the isomers is usually preferred, and this is determined by the nature of the substituents in the FI ligand. The origin and mechanism of such preference has not been completely elucidated. We attempted to describe it quantitatively o…
Counter anion binding in the phenoxyimine, salan and metallocene olefin polymerization catalysts activated with perfluorophenylborate
2012
Abstract Ion pair separation is a process that may influence the activity of homogeneous catalysts of olefin polymerization. We have studied the energy of separation for selected titanium and zirconium metallocene and post-metallocene catalytic ion pairs by means of DFT, dispersion-corrected DFT and Paired Interacting Orbitals method (PIO). Unusually weak cation–anion interactions in the bis(phenoxyimine) systems were attributed to strong electron-donating properties of the phenoxyimine ligands. Energy decomposition analysis (EDA) revealed that almost 70% of the counter ion binding energy results from electrostatic interactions. The PIO method made it possible to analyze the nature of the c…
Remarkable effect of organoaluminum activator on catalytic performance of bis(phenoxy-imine) titanium complexes in ethylene polymerization
2009
Zsyntezowano i sprawdzono w polimeryzacji etylenu, po uprzedniej aktywacji zarówno MAO, jak i prostymi związkami glinoorganicznymi (Et3Al, Et2AlCl, EtAlCl2), trzy kompleksy tytanu z ligandami fenoksy-iminowymi: dichlorek bis[N-(3,5-di-tert-butylosalicylideno)anilino]tytanu(IV) (kompleks I), dichlorek bis[N-(3,5-di-tert-butylosalicylideno)-1-naftyloamino]tytanu(IV) (kompleks II) i dichlorek bis[N-(salicylideno)-1-naftyloamino]tytanu(IV) (kompleks III). Stwierdzono, że zarówno struktura ligandów, jak i rodzaj glinoorganicznego aktywatora mają wpływ na aktywność badanych kompleksów. Kompleks I, zawierający podstawnik fenylowy przy iminowym atomie azotu okazał się najaktywniejszy w połączeniu z…