Simple Metalloporphyrin Dimers for Multielectron Reduction Catalysis

Reports: AC3 48454-AC3: Simple Metalloporphyrin Dimers for Multielectron Reduction Catalysis

Roman Boulatov, University of Illinois

During this period we have synthesized the 1st generation Fe and Co porphyrin catalysts, fully characterized them spectroscopically and sent them to our collaborator in Leiden University for electrocatalytic studies. Because the design of the 2nd generation catalysts requires the data on the electrocatalytic properties of the already-synthesized metalloporphyrin. As we are awaiting the completion of these studies we requested and received the permission to change the scope of the grant from the design of metalloporphyrins to theoretical modeling and ultimately designing photoactuating polymers.

The initial results have been quite promising. We have developed a Carnot-type thermodynamic cycle relating the performance characteristics of a single-chain photoactuating oligomer (e.g., azobenzene) to the molecular properties of individual monomers. In preliminary results we have defined a set of stereochemical properties that affect the actuating performance the most. Based on these results, we were invited by the BES-DoE to apply for a 5-year grant to develop new photoactuating polymers.