Synthesis and structure of Ti complex having a pair of chelating aminotropone[O-N]ligand have been reported.Calculations of density functional theory(DFT) studies suggest that bis(aminotropone) Ti complex,when act...Synthesis and structure of Ti complex having a pair of chelating aminotropone[O-N]ligand have been reported.Calculations of density functional theory(DFT) studies suggest that bis(aminotropone) Ti complex,when activated with methylaluminoxane (MAO),have high potential for the polymerization of olefinic monomers.These theoretical studies also show that the active species derived from bis(aminotropone) Ti catalyst normally possess higher electrophilicity nature compared with those produced using bis(phenoxyimine) Ti complexes(Ti-FI catalysts) which are known as high performance olefin polymerization catalysts. Bis(aminotropone) Ti catalyst generates a catalytically active species that has higher electrophilicity than a Ti-FI catalysts.展开更多
文摘Synthesis and structure of Ti complex having a pair of chelating aminotropone[O-N]ligand have been reported.Calculations of density functional theory(DFT) studies suggest that bis(aminotropone) Ti complex,when activated with methylaluminoxane (MAO),have high potential for the polymerization of olefinic monomers.These theoretical studies also show that the active species derived from bis(aminotropone) Ti catalyst normally possess higher electrophilicity nature compared with those produced using bis(phenoxyimine) Ti complexes(Ti-FI catalysts) which are known as high performance olefin polymerization catalysts. Bis(aminotropone) Ti catalyst generates a catalytically active species that has higher electrophilicity than a Ti-FI catalysts.