Abstract
Based on EHM calculations of complexes of ethylene, allene, and dimethylallene with π-allylnickel bromide, it was shown that the activity of the corresponding monomers in the oligomerization reaction is determined by the elevated charge density on the terminal C atom of the π-allyl ligand in the trans position to the halogen. Addition of alienes to the C atom of π-allyl takes place on the central C atom in allene, characterized by a reduced charge density, the activity of the complexes in substitution of the halogen increases in the order Cl < Br< I, and the activity of the monomers increases in the order ethylene < allene < 1,1-dimethylallene.
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