Research Projects

Functionalized N-heterocyclic carbenes (NHCs) will be the targeted ligands for their robustness and ability to tune the steric and electronic properties of metal complexes. The project is also positioned to contribute to the energy-related initiatives of the Government of India, such as the Clean Energy Initiatives, by developing heterometallic catalysts that facilitate CO₂ reduction to methanol, which has significant environmental implications by mitigating greenhouse gas emissions. Additionally, the activation of small molecules like H₂, B-H, and Si-H to produce value-added chemicals will have important applications in industries like pharmaceuticals and materials science. The project will address the gap in understanding heterometallic catalysis, focusing on metal center interactions. It will explore whether metals cooperate or act independently and how the second metal influences the reaction pathway. Growing crystals of the complexes and analyzing them through XRD will be central to understanding their bonding parameters and structural features. Using experimental techniques like UV-vis spectroscopy, HRMS, and DFT calculations, the research will study reaction mechanisms and intermediates. Temperature-dependent reactions will be analyzed through Arrhenius and Eyring plots to understand activation energies and kinetics. Comparing experimental and computational results will provide insights into the role of metal interactions in catalytic processes. This research explores 3d–4f single-molecule magnets (SMMs) for advanced magnetic materials with applications in data storage, sensors, and quantum computing. It also aims to enhance fundamental understanding of lanthanide/transition metal complexes, driving innovations in efficient and sustainable catalysis for industrial applications