Practical and theoretical study on the α-substituent effect on α-diimine Nickel(II) and Cobalt(II)-based catalysts for polymerization of ethylene

Abstract

The Late transition metal catalysts based on Ni(II) and Co(II) were synthesized and their structure and activity in polymerization of ethylene were compared. Methylaluminoxane (MAO) was used as a co-catalyst. To discover the optimum polymerization conditions, the effect of polymerization temperature, monomer pressure, [Al]: [Ni] molar ratio and time of polymerization were studied. Activity of the catalysts was promoted by increasing of the monomer pressure. The viscosity average molecular weights M v of the synthesized polymers using 1,2-bis(2,4,6-trimethyl phenyl imino) acenaphthene Nickel(II) dibromide were increased with increasing of the monomer pressure from 1 up to 6 bar which studied. Explicitly, the ortho-substituent has a significant effect on the catalyst behavior. Melting point and crystallinity of the obtained polyethylene using 1,2-bis(2,4,6-trimethyl phenyl imino) acenaphthene Nickel(II) dibromide catalyst were increased with enhancing monomer pressure. The optimum and stable structures were computed and some factors related to the activity were studied. Catalyst 1,2-bis(2,4,6-trimethyl phenyl imino) acenaphthene Nickel(II) dibromide had the highest activity with the highest quantities of dipole moment (18.29 Debye), charge of Mullikan on metal atom (1.48) and Sum of electronic and thermal Energies (–7906.52 e.u.).