The Role of Bridging Group of Cyclopentadienyl Ligands for the Ziegler–Natta Catalysis: Theoretical Study

Ethylene polymerization with homogeneous

Ethylene polymerization with homogeneous Ziegler-Natta catalysts: theoretical study on the role of ion pairs in the polymerization mechanism

✍ Roberto Fusco; Luca Longo; Francesco Masi; Fabio Garbassi 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 420 KB 👁 1 views

## Abstract The thermodynamics of the reaction of an ethylene molecule with the Cp~2~TiCH~3~Cl/Al(CH~3~)~2~Cl system (Cp = η~5~‐C~5~H~5~), as a model for olefin polymerization with homogeneous Ziegler‐Natta catalysts, was investigated via quantum mechanical DFT calculations. The comparison of the c