Spectroscopic Study and Rational Design for Functional Organic Compounds

The research project focuses on the rational design of functional organic molecules using quantum mechanical approach. The project have rationally designed and analyzed dye sensitizers such as zinc porphyrin and fluorene molecules used in dye sensitized solar cells. Additionally, research also encompasses on gram negative auto inducer molecules to investigate their core and valence binding energies for the better understanding of quorum sensing process using synchrotron spectroscopy. The last project of this researcher analyzed Pfizer anti-cancer drug - Lorlatinib to investigate the conformer and its impact on drug efficiency. The analysis of organic molecules through structure-property relationship using experimental and computational data was used to device new efficient molecules and a strategy for future studies.