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    Ferromagnetic copper(II) complex containing ferrocenecarboxylato bridging ligands

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    The synthesis and characterization of the copper(II) complex [Cu2(dpt)2{(渭-O2C)[(畏5-C5H4)Fe(畏5-C5H5)]}2](ClO4)2 (1), where dpt = dipropylenetriamine, are reported, and its structure was determined by single-crystal X-ray analysis. The compound crystallizes in the monoclinic system, space group P21/n, with a = 9.920(2) 脜, b = 12.925(2) 脜, c = 15.768(3) 脜, 尾 = 93.17(1)掳, and Z = 2. The cationic part of 1 shows a tetrametallic core in which two ferrocenecarboxylato groups act as (O,O') bridging ligands between two copper(II) ions with a squarepyramidal 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 g(iso) = 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 calculations in the broken-symmetry approach.Ministerio de Educaci贸n y Cultura (Grants PB096-0163, PB096-0164, y PB98-1216-CO2-01).Peer Reviewe
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