Cr/PCCP-catalysed selective ethylene oligomerization: analysis of various conformations and the hemilabile methoxy group
Xuqin Zhong, Lin Liu, Xing Guo, Li Sun, Bo Liu, Zhen Liu
Abstract
This work reports a DFT study on the effects of the hemilabile methoxy group in Cr/PCCP and Cr/PCCP OMe catalyzed ethylene tri- and tetramerization. The ensemble of conformers and the key geometrical features of the lowest conformer were discussed.
Topics & Concepts
Conformational isomerismEthyleneCatalysisChemistryGroup (periodic table)StereochemistryComputational chemistryCrystallographyMoleculeOrganic chemistryOrganometallic Complex Synthesis and CatalysisAdvanced Chemical Physics StudiesAsymmetric Hydrogenation and Catalysis