Structural and theoretical investigation on two dinuclear Fe(III) complexes of tridentate NNO-donor Schiff base ligands

Synthesis and structural characterization of two new Fe(III)-Schiff base complexes reveal that both the complexes 1 and 2 are centrosymmetric dimers where the Fe(III) ions are in distorted octahedral environment, bridged by two μ2-methoxide and hydroxide ions respectively. The theoretical results demonstrate that complex 1 (Ef = −1546.41 kcal/mol) is relatively more stable than complex 2 (Ef = −1532.56 kcal/mol).