Regulation of molecular heterogeneous organocatalysis by dynamic confinement in soft porous crystals (A08*)

• Subject Area: Solid State and Surface Chemistry, Material Synthesis ; Organic Molecular Chemistry - Synthesis and Characterisation ; Theoretical Chemistry: Molecules, Materials, Surfaces
• Term: since 2022
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 358283783

We establish and use flexible metal-organic frameworks (MOFs) as innovative catalysts able to responsively adapt their internal micro/mesoporous confinement by molecular recognition. Jørgensen-Hayashi organocatalyst will be covalently attached to the framework backbone with different cell size resulting in a defined spatial orientation and specific local chemical environment of the catalytic site within the MOF crystals. Parallel to the catalytic process we will experimentally study the dynamic responsive framework deformation and investigate the mechanism of dynamic confinement and its effect on transport and catalysis properties by molecular dynamics simulations.

• DFG Programme: Collaborative Research Centres
• Subproject of: SFB 1333: Molecular Heterogeneous Catalysis in Confined Geometries
• Applicant Institution: Universität Stuttgart
• Project Heads: Dr. Simon Krause; Professorin Dr. Sabine Laschat; Dr. Kristyna Pluhackova