| Abstract
| - The synthesis, structure, and magnetic properties of a heteropolynuclear complex are reported. The cation shows a tetrametallic core in which two ferrocenecarboxylato groups act as (O,O‘) bridging ligands between two copper(II) ions, leading to a weak ferromagnetic superexchange between the paramagnetic centers. Magnetostructural correlations are discussed on the basis of the topology of the system and quantitatively estimated by means of DFT calculations.
- The synthesis and characterization of the copper(II) complex [Cu2(dpt)2{(μ-O2C)[(η5-C5H4)Fe(η5-C5H5)]}2](ClO4)2(1), where dpt = dipropylenetriamine, are reported, and its structure was determined by single-crystal X-rayanalysis. The compound crystallizes in the monoclinic system, space group P21/n, with a = 9.920(2) Å, b =12.925(2) Å, c = 15.768(3) Å, β = 93.17(1)°, and Z = 2. The cationic part of 1 shows a tetrametallic core inwhich two ferrocenecarboxylato groups act as (O,O‘) bridging ligands between two copper(II) ions with a square-pyramidal environment. Susceptibility measurements on this compound indicate a ferromagnetic, albeit weak,coupling between the two paramagnetic centers, with best-fit values of J = +2.5(3) cm-1 and giso = 2.12(1).Magnetostructural correlations can be qualitatively explained on the basis of the topology of their chairlike core.A quantitative investigation has been performed by means of ab initio density functional theory based calculationsin the broken-symmetry approach.
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