DFT modeling of the effect of magnesium dichloride on the catalytic activity of post-titanocene complexes in ethylene polymerization

The DFT study of magnesium dichloride effect on the catalytic activity of titanium complexes LTi(Y)Cl (where L is a saligenin-type ligand, and Y is Cl or Me) in olefin polymerization has demonstrated that heterobinuclear titanium–magnesium complex with –O– and –Cl– bridging bonds is the most stable product of the reaction between MgCl₂ and LTi(Y)Cl and the most probable catalytic particle for ethylene polymerization.