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ERC

IONPAIRSATCATALYSIS Report Summary

Project ID: 614182
Funded under: FP7-IDEAS-ERC
Country: Germany

Mid-Term Report Summary - IONPAIRSATCATALYSIS (Design Principles of Ion Pairs in Organocatalysis – Elucidation of Structures, Intermediates and Stereoselection Modes as well as Assessment of Individual Interaction Contributions)

Ion pairs are nearly omnipresent in Chemistry and Biochemistry and provide special properties and functions, due to the strong electrostatic interactions between cations and anions. In contrast to the importance of ion pairs there is a general lack of experimentally determined structures especially of small ion pairs. This lack of experimental data hampers the rational design of ion pair structures in whole research fields.
To fill this gap catalytically highly active ion pair complexes are investigated in the project ionpairs@catalysis. By a combination of synthetic methods, theoretical calculations and nuclear magnetic resonance spectroscopy we were able to get a detailed insight into the core structures of these catalyst-substrate complexes. The heart of these catalytically active ion pairs is a strong charge assisted hydrogen bond. This hydrogen bond fixes the aromatic substrates independent of their substitution pattern in a certain position similar to a rigid anchor and allows for a broad substrate scope. In catalytically active systems often a certain mobility is necessary to provide high reactivities. This mobility is given in these ion pair complexes by tilting movements between two hydrogen bond anchors or by combinations of tilting and rotation around this anchor. Further investigations about stereoselection modes of ion pair catalysts are in progress.
These structural insights will serve the big community of ion pairing catalysis to understand the structures and catalytic effects in more detail and to develop refined predictive models towards a rational design of catalytically active ion pairs.

Reported by

UNIVERSITAET REGENSBURG
Germany
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