Heteroleptic Zn(II) and Cd(II) Complexes with Xanthates and 1,10-Phenanthroline Ligands: Synthesis and Structural Characterization

A series of new heteroleptic Zn(II) and Cd(II) complexes containing 1,10-phenanthroline and xanthate ligands was synthesized and characterized by FTIR, Raman, UV–Vis and ¹H NMR spectroscopies, complemented by density functional theory (DFT) calculations. The spectroscopic data confirmed coordination through sulfur and nitrogen donor atoms, while single-crystal X-ray diffraction of [Zn(phen)(MeOEtX)₂] revealed a distorted tetrahedral geometry with monodentate xanthate ligands and bidentate phenanthroline. Theoretical calculations provided optimized molecular geometries and vibrational assignments, showing good agreement with the experimental spectra. The combined experimental and computational results confirm the successful synthesis and structural characterization of these new heteroleptic complexes, contributing to a better understanding of their coordination behavior and electronic structure.