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

Zoubeyr Boudene (1) , Adrien Boudier (1) , Pierre-Alain Breuil (1) , Hélène Olivier-Bourbigou (1) , Pascal Raybaud (1) , Hervé Toulhoat (1) , Theodorus de Bruin (1)

1 IFPEN - IFP Energies nouvelles

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.

Keywords: Homogeneous catalysis; Oligomerization; Ethylene; Catalyst activation; Cocatalyst; Methylaluminoxane Mechanism; DFT; Molecular modeling

Domains: Chemical Sciences; Catalysis

Zoubeyr Boudene, Adrien Boudier, Pierre-Alain Breuil, Hélène Olivier-Bourbigou, Pascal Raybaud, et al.. Understanding the role of aluminum-based activators in single site iron catalysts for ethylene oligomerization.. Journal of Catalysis, 2014, 317 (August), pp.153-157. ⟨10.1016/j.jcat.2014.06.013⟩. ⟨hal-01070767⟩