Chromium Catalysts for Selective Ethylene Oligomerization Featuring Binuclear PNP Ligands

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 kgg-1h-1) in selective ethylene oligomerization with a total selectivity of 84.5% for 1-hexene and 1-octene at 40 degrees C and 50 bar. The relationship between the ligand structure and ethylene oligomerization performance was further explored using density functional theory calculations.