2,2`-Bipyridin-1,2-dithiolat Gemischtligand-Komplexe. Synthese, Charakterisierung und EPR-Spektroskopie / 2,2`-Bipyridine-1,2-dithiolate Mixed Ligand Complexes. Synthesis, Characterisation and EPR Spectroscopy

A series of new 2,2` -bipyridine/1,2-dithiolate transition metal complexes has been synthesised and characterised. As 1,2-dithiolate ligands 1,2-dithiooxalate (dto) and 1,2-dithiosquarate (dtsq) were used. It follows from the IR spectra that the multidentate dithiolate ligands coordinate exclusively via their sulfur atoms forming an MN coordination sphere. The central metal ions (M) are Cu , Ni , Pd , Pt , and Zn . The complex [Cu (bpy)(dto)] could be studied by EPR spectroscopy and was measured as powder, diamagnetically diluted in the isostructural [NiII(bpy)(dto)] host structure. The spin density contribution calculated from the experimental parameters is compared with the electronic situation in the frontier orbitals, namely in the semi-occupied SOMO of the copper complex, derived from quantum chemical calculations on different levels (EHT and DFT).