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.
Citation:
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., 31:4 (2021), 523–525
Linking options:
https://www.mathnet.ru/eng/mendc977
https://www.mathnet.ru/eng/mendc/v31/i4/p523
This publication is cited in the following 1 articles:
Ilya E. Nifant'ev, Alexander A. Vinogradov, Alexey A. Vinogradov, Mikhail E. Minyaev, Vladimir V. Bagrov, Ildar I. Salakhov, Nadim M. Shaidullin, Anatoly E. Chalykh, Alexey V. Shapagin, Pavel V. Ivchenko, “Heterocene-catalyzed ethylene/oct-1-ene copolymerization under MAO-free and low-MAO conditions: The synthesis of highly statistical copolymers and their use in blending with HDPE”, Polymer, 272 (2023), 125836