Insights in rhodium-catalyzed hydroformylation in supramolecular cages: A combined experimental and theoretical approach

We have studied supramolecular catalysts making use of both experimental and theoretical approaches. In this manner we were able to understand the behavior of these supramolecular complexes at the molecular level. We were able to give an explanation for both the increase in activity and the change in selectivity when porphyrin building blocks are used. At the same time we were able to show why these changes are much less pronounced when using salphen building blocks. Hopefully, understanding how these catalysts work facilitates the design and development of the next generation of hydroformylation catalysts.