A possible model for the stereospecificity in the syndiospecific polymerization of propene with group 4a metallocenes

摘要: The factors that determine the stereospecificity are studied using conformational analysis techniques. For a model site including an isopropyl(cyclopentadienyl-1-fluorenyl) ligand, precise definition of interactions its enantioselectivity at molecular level is presented. other sites isopropyl(cyclopentadienyl-1-indenyl) or isopropyl(1-fluorenyl-3-methylcyclopentadienyl) on basis energy calculations, predictions their stereospecific behavior presented, which in qualitative agreement with available experimental information