Effect of an additional donor on decene formation in ethylene oligomerization catalyzed by a Cr/PCCP system: a combined experimental and DFT study
Zhichao Wang, Lin Liu, Xufeng Ma, Yao Liu, Puke Mi, Zhen Liu, Jun Zhang
Abstract
Cr catalyst based on a PCCP ligand shows high activity in ethylene oligomerization, giving 1-hexene and considerable C<sub>10</sub> fraction. DFT calculation results are consistent with the experimental observations on the distribution of C<sub>10</sub> isomers.
Topics & Concepts
EthyleneCatalysisChemistryLigand (biochemistry)1-HexeneComputational chemistryPolymer chemistryOrganic chemistryBiochemistryReceptorOrganometallic Complex Synthesis and CatalysisCatalytic Processes in Materials ScienceCatalysis and Oxidation Reactions