CRC: Probing the Dynamic Nanoscale Chirality of Folded Dendrimers for Selectivity

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This award supports the collaborative efforts of Jon Parquette, T.V. RajanBabu, Christopher Hadad (at Ohio State University) and David Modarelli (at University of Akron) to understand cooperative conformational behavior of dendrimers. This team of researchers will correlate information about the internal structure and dynamics of a folded dendrimer with selectivity during a chemical reaction. The specific goals are (1) to explore the selectivity imparted to a reaction by folded dendrimers incorporating catalytic sites (e. g., activating groups, acid, base or metal centers) at specific locations within the secondary structure, (2) to develop computational methods to quantify the nature and extent of dynamic conformational correlation within folded dendritic molecules, and (3) to monitor volume changes in the dendron structure on the time-scale of the reaction as a function of the reaction coordinate.Chemical reactions are influenced by the shape and size of molecules that undergo the reactions and those of the catalysts that bring about the chemical change. This study will lead to a detailed understanding of how the structure of dendrimers changes, and what impact those changes might have on a reaction. Understanding how the dynamic conformations of synthetic macromolecules affect reactivity and selectivity may also lead to a better understanding of how biological macromolecules (enzymes, nucleic acids) change their conformation and promote selective chemical reactions. This project is funded through the Collaborative Research in Chemistry Program (CRC) and provides outstanding opportunities for undergraduate, graduate and postdoctoral students to acquire knowledge and skills in organic synthesis, organometallic chemistry, macromolecular synthesis and characterization, spectroscopy and computational techniques.