Research Interests

Our research interests are to investigate the structure and reactivity of small molecules, bimolecular complexes, and transient chemical species using novel spectroscopic techniques at room (298 K) and low (0.38 to 10 K) temperatures to develop the fundamental understanding that applies to broad multidisciplinary fields of organic reactions, pharmaceuticals, drug degradation and dissolution, green synthesis of nanoparticle and biological activity, atmospheric chemistry, etc. Within this general framework, our research program will address specific issues like the identification of transient species (ions and free radicals), assignment of conformers generated during light and/or temperature-induced chemical transformations, and formation of molecular complexes via hydrogen, halogen, and carbon bonding. To achieve these, we integrate our expertise in spectroscopy, photochemistry, pyrolysis, and low-temperature studies to probe reaction mechanisms. We employ quantum chemical (DFT & MP2) methods to model spectroscopic data and potential energy surfaces on which reactions take place.

Some on going and completed projects

1. Development of miniaturize photolysis set-up for photochemistry using Infrared spectroscopy.

2. Photodegradation of antifungal and antibacterial drug (Triclosan) derivatives in solution phase.

3. Investigation of photodegradation of halobenzenes in the UV using repetitive scan FT-IR spectroscopy and ab initio calculations.

4. Investigation of Products from Pesticides Using the Machine Learning Technique and Quantum Chemical Calculations. (Sponsored by CST, U.P., 2019; Collaborator - Dr. B. D. Mazumdar in CSE).

Some of the available tecniques