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Condensation of 2-hydroxy-3-methoxybenzaldehyde with m-phenylenediamine (1,3-diaminobenzene) (m-pda) gives the ligand [N,N′-bis(2-hydroxy-3-methoxybenzylidene)-1,3-diaminobenzene] which reacts with cupric acetate to give the complex [Cu 2 (L-m-pda) 2 ]·2H 2 O, [L = 2-hydroxy-3- methoxybenzaldehyde)]. The molecular structure of the complex [Cu 2 (L-m-pda) 2 ]·2H 2 O has been determined by single-crystal X-ray analysis. (C 44 H 40 Cu 2 N 4 O 8 )·2H 2 O, triclinic, space group P1̄. Two [Cu(L-m-pda)] fragments, related by an inversion center, are connected by m-phenylene groups to form a binuclear unit. The coordination geometry around each copper(II) can be described as a distorted tetrahedron formed by the N 2 O 2  donor set of the Schiff base ligands. The intramolecular Cu···Cu separation is 7.401(6) Å. The magnetic susceptibility of the complex in the 5 - 301 K temperature range can be rationalized by the parameters J = −0.4 cm −1  and g = 2.17. This indicates a weak intramolecular antiferromagnetic interaction. Extended Hückel molecular orbital (EHMO) calculations have been performed in order to gain insight into the molecular orbitals that participate in the super-exchange pathway.

Crystal Structure and Magnetic Exchange Interaction in a Binuclear Copper(II) Schiff Base Complex with a Bridging m-Phenylenediamine Ligand