A new complex, [Ni3(L)2(BTA)2]·2H2O (1, L=1,4-di(1H-imidazol-4-yl)benzene, H3BTA=benzene-1,3,5-triacetic acid), has been hydrothermally prepared and charac
Density functional theory (DFT) calculations, at the B3LYP/6-311G** level of theory, were performed to study the reaction mechanism and potential energy surface