Secondary-Sphere Interactions for Controlling Catalytic Efficacy and Selectivity
Implementing Organization
Indian Institute Of Technology Kanpur
Principal Investigator
Prof. Jitendra Kumar Bera
Indian Institute Of Technology Kanpur
jbera@iitk.ac.in
Project Overview
Catalysts play crucial role in chemical transformations, facilitating reactions under milder conditions with enhanced efficiency and selectivity. While primary coordination sphere effects are well-established, secondary-sphere interactions have emerged as a powerful tool for fine-tuning catalytic performance. These interactions, which occur beyond the immediate coordination environment of the active site, can significantly influence catalytic activity, stability, and selectivity. Nature offers outstanding examples of secondary-sphere interactions in enzymatic catalysis, providing valuable insights for the development of more efficient synthetic catalysts. Metalloenzymes like cytochrome P450 employ a finely tuned hydrogen-bonding network around the active iron center to facilitate oxygen activation and selective substrate oxidation, improving reaction efficiency and minimizing undesired side reactions. Drawing inspiration from these natural systems, the design of catalysts that incorporate secondary-sphere interactions presents exciting possibilities for advancing transition metal-catalyzed reactions. The project aims to establish a framework for designing highly selective and efficient catalysts by leveraging secondary sphere interactions. By fine-tuning reaction conditions and lowering energy barriers, these catalysts could transform essential processes in green chemistry, pharmaceutical synthesis, and industrial catalysis. The insights gained from this study will offer a greater understanding of how non-covalent interactions can enhance catalytic performance, paving the way for more sustainable and effective catalytic systems.