Copper(II) complexes with 2,5-bis(methylthio)-1,3,4thiadiazole (tda) formulated as [Cu(tda) n X 2 ] (n = 2, X = Cl À , Br À , C 2 N 3 À ; n = 1, X = C 2 N 3 À ) have been isolated and fully characterized. The crystal structures of all compounds have been determined using single-crystal X-ray diffraction (SCXRD). A study of the magnetic susceptibility in the range 1.77-300 K has shown that magnetic properties of the [Cu(tda) 2 Cl 2 ] and [Cu(tda) 2 Br 2 ] complexes match those of 1D chains of antiferromagnetically-coupled Cu 2 + ions. The intrachain interaction J in [Cu(tda) 2 Cl 2 ] turns out to be ~1.2 times weaker than in its bromide analogue. In its turn, [Cu-(tda) 2 (C 2 N 3 ) 2 ] exhibits J being an order of magnitude smaller and of the opposite ferromagnetic sign. Halogen bonding (HB) between adjacent complexes is much stronger than the H-bonds or π-π interactions between tda ligands according to the DFT calculations.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.