Ziegler-Natta polymerization catalysts were characterized by a complex of surface- and bulk-sensitive methods (DRIFTS, XPS, ESR, and XAS = XANES + EXAFS). A diffuse-reflectance Fourier-transform IR spectroscopy (DRIFTS) study showed the presence of strong Lewis acid sites in different concentrations and absence of strong basic sites in the polymerization catalysts. X-ray photoelectron spectrosc...

Since the advent of Ziegler-Natta polymerization of ethylene, attempts have been made to extend coordination polymerization to commercially important monomers with polar functionality. In this study we examined the copolymerization of perdeuterated vinyl chloride (VC) and perdeuterated vinyl acetate (VA) with ethylene using a tridentate Fe(II) dichloride pyridine diimine metal catalyst. The res...

Models for the likely active catalysts in homogeneous Ziegler-Natta systems have been studied using ab initio quantum chemical methods. We investigated the geometries of the isoelectronic model complexes, X2M-R where X = C1 or Cp = (q5-CsHs); where M = Sc and Ti+ (and also Ti); and where R = H, CH3, or SiH3. The general trend is that the M = Sc compounds strongly prefer a planar configuration, ...

Magnesium alkyls such as butyl octyl magnesium and ethyl are used precursors for highly active water-free chloride support materials Ziegler–Natta catalysts. These show a high viscosity in hydrocarbon solvents which negatively affect their industrial application. Density functional theory (DFT) calculations supported the hypothesis that can form oligomeric chain structures responsible viscosity...