SEMIEMPIRICAL STUDY OF METALLOCENES ADSORPTION ON BETA-MGCL2

This work analyzes the adsorption of four metallocenes with different symmetry on two planes of beta-MgCl2: the (100) and the (110). The sel ected metallocenes are Cp2ZrCl2, Ind(2)ZrCl(2), EtInd(2)ZrCl(2) and Me (2)SiInd(2)ZrCl(2). The results of the calculations allow us to specul ate that the chiral ansa metallocenes bridged with C2H4 could have che mical interaction with certain faces of the MgCl2 surface during the s tage of adsorption and subsequent precursors treatment, while the inte raction of the others with the surface generates stable species depend ing on the surface geometry. (C) 1998 Elsevier Science B.V.