Chemical Catalysis with Piezoelectric Materials

ongoing

From the beginnings of the organic chemistry as a scientific discipline, the main task has been clear – how to perform organic reactions in an efficient and selective manner? How to activate our starting materials, without destroying them in the process? Catalysis, such as redox catalysis, can bring a solution to these questions. In the CAPELE project, we would like to harness the mechanical energy for activation of organic molecules. Piezoelectric materials upon impact undergo formation of separated electron-hole pairs, and can be used to initiate redox reactions. In our preliminary experiments, we have verified that extremely simple piezoelectric materials as sand (quartz) can be used as mechano-catalysts for redox reactions. The main objective of this project is to discover new mechano-redox transformations. I believe that development of new mechano-redox processes using cheap, durable, environmentally-friendly and easily removable piezoelectric materials as catalysts can have real impact on the synthetic community. Piezoelectric materials can be used in this manner to perform a simple E-/Z- bond isomerization. This simple reaction can be used to drive mechanically-switched molecular switches – a discovery, that has a huge potential impact on development of new mechanically-activated molecular devices. This project requires an accurate method of theoretical prediction of redox potentials to enable rational reaction design of redox reactions. We plan to develop such method using modern quantum-chemical computational tools. Impact of such model is well beyond the scope of this project, as it will give a powerful computational tool to the whole community of organic chemists involved in development of redox reactions. I have extensive experience in development of catalytic redox processes, computational chemistry, mechanistic investigations and organic physical chemistry and therefore I believe that I am a perfect match to lead such an interdisciplinary project.