• Synthesis, structure, and reactivity of MOFs
• Physical characterization of molecular interactions and dynamics
• Theoretic description, simulation and modeling
• Systems and functions

In the program, the modular construction principles of MOFs are used in a rational way for the design of porous frameworks, with functions defined by the constituting building blocks. For the analysis of adsorption, diffusion, and the reaction of guests inside MOFs, structural changes of the molecules and dynamic processes in the frameworks are monitored. Energetic states of molecules inside MOFs and their dynamics are simulated using theoretic quantum chemical calculations and MD-methods for the interpretation of analytic methods and the prediction of functions. An important issue is the application and development of spectroscopic and diffraction methods for the in situ analysis. In this way, formation mechanisms of MOFs, molecular binding sites and catalytic mechanisms in the frameworks are illuminated. By testing the functionality of MOFs, the priority program evaluates the potential of porous Metal-Organic Frameworks in the areas of storage, recognition, separation, or catalytic transformation of molecules.