Antiferromagnetic ordering in cobalt(II) and nickel(II) 1D coordination polymers with the dithioamide of 1,3-benzenedicarboxylic acid

Abstract

International audienceA series of 1D coordination polymers [Co(m-dtab)Cl2]n (1), [Co(m-dtab)Br2]n (2) and [Ni(m-dtab)2(Br)2]n (3), where m-dtab = the dithioamide of 1,3-benzenedicarboxylic acid, were prepared. The structures of all complexes were determined by X-ray diffraction . Magnetic properties of the compounds were characterized by molecular susceptibility vs. T dependence in the temperature range from 2 to 300 K. All compounds possess antiferromagnetic exchange interactions, and antiferromagnetic ordering was found in [Co(m-dtab)Br2]n and [Ni(m-dtab)2Br2]n at TN = 2.9 K and 2.6 K, respectively. DFT calculations showed that exchange interactions in [Co(m-dtab)(Hal)2]n could be transferred through two pathways: m-dtab between metal ions or interchain π-π stacking of aromatic rings, so the systems are not 1D from the viewpoint of magnetochemistry. The results of DFT calculations are consistent with the existence of magnetic ordering