I. E. Nifant'ev, A. A. Vinogradov, A. A. Vinogradov, P. V. Ivchenko, “Alternative mechanistic interpretation for unconventional catalytic behaviour of triisobutylaluminium-activated heterocenes in ethylene polymerization”, Mendeleev Commun., 2021, Volume 31, Issue 4,Pages <nobr>523

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Communications

Alternative mechanistic interpretation for unconventional catalytic behaviour of triisobutylaluminium-activated heterocenes in ethylene polymerization

I. E. Nifant'ev^ab, A. A. Vinogradov^a, A. A. Vinogradov^a, P. V. Ivchenko^ab

^a A.V. Topchiev Institute of Petrochemical Synthesis, Russian Academy of Sciences, Moscow, Russian Federation
^b Department of Chemistry, M.V. Lomonosov Moscow State University, Moscow, Russian Federation

Abstract: DFT simulations of ethylene polymerization with the participation of neutral Zr–Al3 hydride species revealed a fundamental difference in catalytic behaviour of triisobutylaluminium-activated heterocenes and conventional ansa-zirconocenes.

Language: English

DOI: 10.1016/j.mencom.2021.07.029

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