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

Zoubeyr Boudene; Adrien Boudier; Pierre-Alain Breuil; Hélène Olivier-Bourbigou; Pascal Raybaud; Hervé Toulhoat; Theodorus de Bruin

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, *}

* Corresponding author

1 IFPEN - IFP Energies nouvelles

Abstract : 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

Document type :

Journal articles

Domain :

Chemical Sciences / Catalysis

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

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