title: Solid state 13C NMR characterisation study on fourth generation Ziegler-Natta catalysts.
abstract: In this study, solid state (13)C NMR spectroscopy was utilised to characterize and identify the metal-ester coordination in active fourth generation (phthalate) Ziegler-Natta catalysts. It is known that different donors affect the active species in ZN catalysts. However, there is still limited data available of detailed molecular information how the donors and the active species are interplaying. One of the main goals of this work was to get better insight into the interactions of donor and active species. Based on the anisotropy tensor values (δ(11), δ(22), δ(33)) from low magic-angle spinning (MAS) (13)C NMR spectra in combination with chemical shift anisotropy (CSA) calculations (δ(aniso) and η), both the coordinative metal (Mg/Ti) and the symmetry of this interaction between metal and the internal donor in the active catalyst (MgCl(2)/TiCl(4)/electron donor) system could be identified.
authors.affiliation: VTT Technical Research Centre of Finland, Biologinkuja 7, Espoo, PO Box 1000 02044 VTT, Finland. harri.heikkinen@vtt.fi
authors.forename: Harri
authors.initials: H
authors.lastname: Heikkinen
authors.forename: Tiina
authors.initials: T
authors.lastname: Liitiä
authors.forename: Ville
authors.initials: V
authors.lastname: Virkkunen
authors.forename: Timo
authors.initials: T
authors.lastname: Leinonen
authors.forename: Tuulamari
authors.initials: T
authors.lastname: Helaja
authors.forename: Peter
authors.initials: P
authors.lastname: Denifl
mesh_terms: D002384:Catalysis; D004579:Electron Transport; D015636:Magnesium Chloride / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D014025:Titanium / Q000737:chemistry*
chemical_list: D015636:Magnesium Chloride; C025096:titanium tetrachloride; D014025:Titanium