Description
Artifi cial photosynthesis is a holy grail in catalysis. From a synthetic point of view, the prevention of catalyst degradation is a primary concern and remains an important obstacle. Structural motifs that are ubiquitous in nature, such as membrane and protein integration of the photosynthetic apparatus, are a source of inspiration. Herein, we report a photocatalytically active rotaxane mimicking photosystem I. Chemical and photoinduced degradation is tackled by mechanically interlocking a dimetallic dyad in a cucurbit[7]uril ring, forming a rotaxane system. The dyad consists of a Ru-photosensitiser that is covalently bound to a Rh-catalyst, via an alkyne-based bridging ligand. The ring offers protection to the alkyne groups, enabling an overall effi cient and continuous photocatalysis that features enzyme-like behaviour. This talk will provide insights, through the lens of computational chemistry, into the rationally engineered interplay between supramolecular assemblies in (photo)catalysis, serving as a paradigm for sustainable methodologies in artifi cial photosynthesis. Computational results from density functional theory and molecular dynamics simulations will be discussed in order to understand how structural and solvation characteristics affect photophysics, charge-transfer processes, and catalysis. The interplay between theory and experiment will be stressed throughout the talk.| Period | 25 Feb 2026 |
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| Event title | Joint DoSChem Retreat – 2026 |
| Event type | Seminar/Workshop |
| Location | Rust, AustriaShow on map |
| Degree of Recognition | National |