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Boudene , Zoubeyr; Boudier , Adrien; Breuil , Pierre-Alain; Olivier-Bourbigou , Hélène; Raybaud , Pascal; Toulhoat , Hervé; De Bruin , Theodorus (2014)
Publisher: Elsevier
Languages: English
Types: Article
Subjects: DFT, Homogeneous catalysis, Oligomerization, Methylaluminoxane Mechanism, Catalyst activation, Molecular modeling, Cocatalyst, [ CHIM.CATA ] Chemical Sciences/Catalysis, Ethylene

Classified by OpenAIRE into

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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