Understanding the structure and properties of MgCl2/TiCl4 nanoclusters is a key to uncovering origin Ziegler–Natta catalysis. In particular, vibrational spectroscopy can sensitively probe morphology active species MgCl2/TiCl4. Here, we determined spectroscopic fingerprints 50MgCl2 50MgCl2/3TiCl4 which were obtained by nonempirical determination based on an evolutionary algorithm DFT. The adsorp...

In this contribution we used solid state 35Cl (I=3/2) quadrupolar NMR to study a MgCl2/2,2-dimethyl-1,3-dimethoxypropane (DMDOMe) adduct that serves as a model system for Ziegler-Natta catalysis. Employing large Radio-Frequency (RF) field strengths we observe three spectral features with strongly varying line widths. The assignment of the spectra is complicated because of the large difference i...

Ab initio SCF-LCAO-MO all-electron calculations have been performed for the catalyzed reaction, related to the Ziegler-Natta polymerization process TiCl.·Al(CH3)3+C2H. -+TiCl •. Al(CH3h·C3H7. The energy of the Ti-Al--ethylene complex during the reaction pathway is associated to the following processes: First, the ethylene coordinates to the catalyst complex and subsequently it reacts with the m...