Self-assembled three-dimensional coordination polymer with ligand-unsupported Ag-Ag bonds based on tetrazole-1-acetic ligand: Synthesis, structure, and properties

A new compound, [Ag-2(tza)(NO3)] n (1), was obtained by reactions of 1H-Tetrazole-1-acetic (Htza) with AgNO3, and characterized by elemental analysis, infrared spectroscopy, and single crystal X-ray diffraction, respectively. The X-ray diffraction analysis reveals that compound 1 is three-dimensional (3D) metal-organic framework constructed by double-layer architecture and the ligand-unsupported Ag-Ag bonds, and displays an unprecedented (3, 6)-connected topological network with 1D hexagon channels of two sizes. The 1D zigzag Ag-metallic chain built from ligand-supported Ag-Ag bonds is observed in 1. Furthermore, the photoluminescence of 1 has also been investigated, and the result exhibits blue photoluminescence in the solid state at room temperature, which shows that this complex may be a good candidate for photoactive material. According to the crystal structures, the TDDFT/6-31G(d) approach was applied to study the photoluminescence emission of 1, and the calculated results are in good agreement with the experimental results.

Automated summary

A new compound, [Ag-2(tza)(NO3)] n (1), was successfully synthesized and characterized by various analytical methods. Its photoluminescence performance in the solid state was investigated, and the results suggest that this compound may be a good candidate for photoactive material. The crystal structures were further studied using TDDFT/6-31G(d) approach, and the calculated results matched well with the experimental findings.