Secondary-Sphere Interactions for Controlling Catalytic Efficacy and Selectivity

Secondary-Sphere Interactions for Controlling Catalytic Efficacy and Selectivity (Prof. Jitendra Bera, Chemistry)

Homogeneous transition metal catalysis plays a crucial role in modern energy and chemical transformations; however, the development of highly efficient and selective catalysts remains a major challenge. Conventional catalyst design has primarily focused on the primary coordination sphere. In contrast, nature employs a more sophisticated strategy in enzymatic catalysis, harnessing secondary-sphere interactions to fine-tune catalytic behavior. These interactions, which occur beyond the immediate coordination environment of the active site, can significantly influence catalytic activity, stability, and selectivity. This project focuses on the rational design of catalysts featuring well-defined secondary-sphere environments to precisely control catalytic performance. By incorporating non-covalent interactions such as hydrogen bonding, electrostatic interactions, and steric effects, into the catalyst framework, the project aims to modulate reaction pathways beyond the immediate metal centre. This approach enables greater control over catalytic processes for efficient, selective, and sustainable chemical transformations.