Transient X-ray absorption spectroscopy

Recent developments in synchrotron radiation facilities and X-ray optics have further expanded the X-ray analytical toolbox for operando studies. These X-ray tools allow to follow the structure of the catalytic active site in action with high time-resolution and include X-ray absorption and emission spectroscopy, diffraction and total scattering. One of…

Continue reading

Charge compensation of entrapped organic cations in zeolites

Organic Structure Directing Agents (OSDAs) play a central role in synthesis of zeolites. Typically, OSDAs consist in tetraalkylammonium cations that are trapped inside of the voids of zeolites. The positive charge of the occluded cations is compensated i) by the isomorphic substitution of Si atoms by trivalent atoms resulting in…

Continue reading

Catalysis for Late-Stage Functionalisation

Directing groups have become pivotal in controlling the stereo- and regiochemistry of transition metal catalysed C–H activation and olefin difunctionalisation reactions. Regiocontrol in these reactions is generally achieved through formation of a stable, five-membered palladacycle. However, the less stable 6‑membered palladacycles can be accessed in Pd(II)-catalysed alkene functionalisation through the…

Continue reading

Data-driven approaches to homogeneous catalysis

With the goal of identifying homogeneous catalysts with improved activity or selectivity, we exploit physical organic concepts, statistical learning techniques and optimization algorithms. We demonstrate how these approaches could be used independently or in tandem within automated workflows. We focus on both prototypical classes of reactions and challenging organic processes…

Continue reading

Mechanochemical and mechanocatalytic reactions in ball mills

Mechanochemical synthesis allows in various cases the synthesis of materials which are otherwise difficult to access or complex to synthesize, such as rare earth metal hydrides, corundum with high surface areas, or supported metal catalysts. For such studies, milling vessels were equipped with various additional features, such as cryo-capabilities and…

Continue reading

Confined Catalysis of Small Molecules in Porous Materials

We develop new porous materials based upon metal-organic frameworks and zeolites for applications in clean-air technology, catalysis, biomass conversion, separation and conductivity. Our key research interest is to investigate the host-guest binding underpinning their property and catalytic activity using state-of-the-art structural and dynamic studies by synchrotron X-ray diffraction, spectroscopy and…

Continue reading