Electroactive Thiophene Bridged Zr and Zn Based Metal Organic Frameworks

In this study, the design and synthesis of thiophene-based metal-organic frameworks containing zinc and zirconium metal centers were carried out. The main objective is to improve the electronic properties of porous framework materials by incorporating conjugated thiophene units into the framework structure. Two different metal-organic framework structures based on Zr and Zn were synthesized via a solvothermal method. Comprehensive characterization using FTIR, UV-Vis, CV, XRD, BET, SEM, EDX, and DFT analyses supports the coordination between the thiophene-based ligand and the metal centers and indicates the formation of porous framework structures. The Zn-based framework exhibited a porous structure with a surface area of 188 m2/g and a homogeneous morphology. Electrochemical and theoretical analyses showed that the conjugated ligand provided reasonable boundary orbital energy levels and improved charge transfer properties. Overall, the results demonstrate that the incorporation of conjugated thiophene units into framework materials is an effective strategy for developing porous materials with improved electronic properties. Therefore, the synthesized structures can serve as promising candidates for future electrochemical and energy-related applications.