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首页> 外文期刊>Catalysis science & technology >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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Efficient chromium-based catalysts for ethylene tri-/tetramerization switched by silicon-bridged/N, P-based ancillary ligands: a structural, catalytic and DFT study

机译：高效的乙烯铬催化剂tri - / tetramerization切换silicon-bridged / N、P-based辅助配体:一个结构、催化和DFT的研究

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摘要

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 x 10(6) 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 x 10(6) 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.
机译：高性能催化剂通过一系列的转换silicon-bridged / N、P-based辅助配体被探索。拥有一个大的空间和展出高活动的16.8 x 10 g(摩尔Cr) (6) (1)h(1)以及99%的总选择性对天津石化和1-octene。天津石化从59%调整到88%。催化剂轴承L2配体,推波助澜空间体积小,显示一个相同的活动13.0 x 10 (6) g h(摩尔Cr) (1) (1)对1-octene优越的选择性为75%在适当的条件下。这些计算结果阐明原因优秀的和可调活动选择性。

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