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...

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Bibliographic Details
Published in:Mendeleev communications 2015-01, Vol.25 (1), p.24-26
Main Authors: Ustynyuk, Leila Yu, Bulychev, Boris M.
Format: Article
Language:English
Subjects:
Catalytic activity
Dichlorides
Ethylene
Magnesium
Polymerization
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Summary: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.
ISSN:0959-9436
DOI:10.1016/j.mencom.2015.01.008