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Efficient chromium-based catalysts for ethylene tri-/tetramerization switched by silicon-bridged/N,P-based ancillary ligands: a structural, catalytic and DFT study

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Abstract

High performance catalysts switched by a series of silicon-bridged/N,P-based ancillary ligands have been explored. The precatalyst supported by L1 possessed a large steric bulk and exhibited a high activity of 16.8 × 106 g (mol Cr)−1 h−1 as well as a total selectivity of 99% toward 1-hexene and 1-octene. The selectivity for 1-hexene was adjustable from 59% to 88%. The catalyst bearing an L2 ligand, facilitated by a smaller steric bulk, displayed an identical activity of 13.0 × 106 g (mol Cr)−1 h−1 and a superior selectivity of 75% towards 1-octene under the appropriate conditions. The DFT calculations elucidated the reason for these excellent and tunable activities and selectivities.

Graphical abstract: Efficient chromium-based catalysts for ethylene tri-/tetramerization switched by silicon-bridged/N,P-based ancillary ligands: a structural, catalytic and DFT study

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Publication details

The article was received on 02 Aug 2017, accepted on 26 Sep 2017 and first published on 27 Sep 2017


Article type: Paper
DOI: 10.1039/C7CY01561E
Citation: Catal. Sci. Technol., 2017, Advance Article
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    Efficient chromium-based catalysts for ethylene tri-/tetramerization switched by silicon-bridged/N,P-based ancillary ligands: a structural, catalytic and DFT study

    L. Zhang, W. Wei, F. Alam, Y. Chen and T. Jiang, Catal. Sci. Technol., 2017, Advance Article , DOI: 10.1039/C7CY01561E

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