화학공학소재연구정보센터
Inorganic Chemistry, Vol.41, No.4, 1022-1025, 2002
Lightest member of the basic carboxylate structural pattern: [Al-3(mu(3)-O)(mu-O2CCF3)(6)(THF)(3)][(Me3Si)(3)CAl(O2CCF3)(3)]center dot C7H8
[Al-3(mu(3)-O)(mu-O2CCF3)(6)(THF)(3)][(Me3Si)(3)CAl( OC(O)CF3)(3)]-C7H8 is the first characterized mu3-oxo-trinuclear basic carboxylate of aluminum closing the gap of isomorphism with the transition metal analogues. The system is an excellent case study for the electronic structure approached by DFT-B3LYP calculations. The actual system proves that the oxo-trinuclear pattern is stabilized by the chemical hardness of oxygen donors and by highly symmetric intramolecular packing of the ligands.