Understanding the role of aluminum-based activators in single site iron catalysts for ethylene oligomerization.

Article English OPEN
Boudene , Zoubeyr ; Boudier , Adrien ; Breuil , Pierre-Alain ; Olivier-Bourbigou , Hélène ; Raybaud , Pascal ; Toulhoat , Hervé ; De Bruin , Theodorus (2014)
  • Publisher: Elsevier
  • Related identifiers: doi: 10.1016/j.jcat.2014.06.013
  • Subject: DFT | Homogeneous catalysis | Oligomerization | Methylaluminoxane Mechanism | Catalyst activation | Molecular modeling | Cocatalyst | [ CHIM.CATA ] Chemical Sciences/Catalysis | Ethylene
    mesheuropmc: inorganic chemicals | organic chemicals

International audience; In a combined experimental and theoretical study, the activation process of a single site ethylene oligomerization catalyst with aluminum-based activators has been studied. The results put forward a plausible deactivation reaction path of the catalyst for trimethylaluminum, while for methylaluminoxane and a novel phenoxyaluminum-based activator, the experimental catalyst's activity correlates with the energy barrier for the ethylene insertion.
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