Polymerization of ethylene molecules chemisorbed on CrOH(super +) as a model system of chromium-containing catalyst

The reaction process of the production of CrOH(C2H4)2(super +) is studied in connection with the ethylene polymerization on a silica-supported chromium oxide catalyst. The calculation shows that the dimerization proceeds through CrOH(C2H4)(super +) (ethylene complex) and CrOH-(C2H4)2(super +) (ethylene complex), in which the ethylene molecules bind with CrOH(super +) through a pi-bonding.