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Chromium Catalysts for Selective Ethylene Oligomerization Featuring Binuclear PNP Ligands.

Xiangyang MengZhiqiang DingHuan GaoZhe MaLi PanBin WangYuesheng Li
Published in: Molecules (Basel, Switzerland) (2024)
A series of novel binuclear PNP ligands based on the cyclohexyldiamine scaffold were synthesized for this study. The experimental results showed that positioning the two PNP sites at the para-positions of the cyclohexyl framework led to a significant enhancement in the catalytic activity for selective tri/tetramerization of ethylene. The PNP/Cr(acac) 3 /MAO(methylaluminoxane) catalytic system exhibited relatively high catalytic activity (up to 3887.7 kg·g -1 ·h -1 ) in selective ethylene oligomerization with a total selectivity of 84.5% for 1-hexene and 1-octene at 40 °C and 50 bar. The relationship between the ligand structure and ethylene oligomerization performance was further explored using density functional theory calculations.
Keyphrases
  • density functional theory
  • molecular dynamics
  • highly efficient