Very strong ferromagnetic interaction in a new binuclear μ-methoxo-bridged Mn(III) complex:: Synthesis, crystal structure, magnetic properties, and DFT calculations

New mononuclear [Mn(HL) 3]·2CHCl 3 (H 2L = 2-salicyloylhydrazono-1,3-dithiolane) and binuclear Mn 2(μ-OCH 3) 2(HL) 4 manganese (III) complexes have been synthesized and structurally characterized. The binuclear complex, described in this communication, displays very strong intramolecular ferromagnetic coupling (J = + 19.7 cm -1), which is confirmed by DFT calculations. The negative sign of the axial magnetic anisotropy parameter, which is crucial for a possible single molecule magnet behavior and for any future use of this complex in more complex extended architectures, is also unambiguously determined by careful fit of magnetization curves and by DFT calculations. Copyright © 2006 American Chemical Society.