Five different Cu/Zn contained complexes were prepared using amide and azoic compound as ligand. The structures of these complexes were determined by single-crystal XRD and NMR spectra. The results show that the coordination mode and valence state of the central metal would change if the synthesis conditions were changed. In addition, electrospray mass spectrometry also confirms the different valence states of copper in different compounds. In order to explore the effects of different structures on the properties of complexes, the thioether oxidation catalysis reaction was selected as the research object. The optimal catalytic reaction conditions were explored, and it was found that the Zn based complex has the best catalytic effect. The phenylmethyl sulfide could be completely converted into sulfone at 60 ℃ for 1.75 h. Also, the catalytic efficiency of Cu2+ complexes is higher than that of Cu+ complexes. Thus, a possible catalytic reaction mechanism is proposed, in which the oxidant first binds to the central metal to form a peroxide, and then oxidizes the substrate to form corresponding sulfoxide or sulfone.