This article is cited in 5 papers

Communications

Ti–C bond formation reactions in post-titanocene catalytic systems for alkene polymerization: a DFT study

L. Yu. Ustynyuk, N. L. Ovsyannikova, A. Y. Shornikova, A. N. Kharlanov

Department of Chemistry, M.V. Lomonosov Moscow State University, Moscow, Russian Federation

Abstract: The quantum-chemical modeling of post-titanocene catalytic systems for alkene polymerization suggests that the activation effect of Mg-containing compounds in alkene polymerization can be caused by a greater exothermicity of Cl ligand exchange in bi- and trinuclear heterocomplexes of Ti, Mg and Al for the alkyl group of AlR₃ with respect to a Ti complex and their higher stability and reactivity toward alkenes, as compared to Ti and Al compounds formed in the Mg-free system.

Language: English

DOI: 10.1016/j.mencom.2016.11.009

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