Estimation of photophysical, electrochemical, computational and fluorescence quenching studies of thiadiazole derivative

The absorption and fluorescence spectra of synthesized 4-[5-(2,5-Dimethyl-pyrrol-1-yl)-[1,3,4] thiadiazol-2-ylsulfanylmethyl]-6-methoxy-chromen-2-one (DTYMC) compound were recorded in various solvents at room temperature in order to estimate the ground and excited state dipole moment. Here, the ground state (μ_g) and excited states (μ_e) were estimated using Lippert’s, Bakshiev’s and Kawski-Chamma-Viallete’s equations by the solvatochromic shift method. The results were signified that the excited state dipole moment is greater than the ground state dipole moment, HOMO-LUMO energy, were determined by cyclic voltammetry using phosphate buffer solution we report the synthesis of TiO2 nanoparticles by hydrothermal method using titanium isopropoxide. The synthesized TiO2 nanoparticles were investigated by Powder X-ray diffraction, FE-SEM with EDX, UV-Visible absorption and Fluorescence emission spectroscopy. Fluorescence intensity and absorption values of DTYMC molecule decreases with adding the concentration of TiO2 nanoparticles. A linear Stern-Volmer (S-V) plot was obtained in steady state method; we have estimated computational calculations like molecular docking study of DTYMC molecule.

Dr. Shivaprasadagouda Patil is an Assistant Professor of Physics at J.S.S. Arts, Science, and Commerce College, Gokak (591307), Belagavi, Karnataka, India. With over 10 years of teaching experience, he has served in various administrative and academic roles. Dr. Patil cleared the CSIR-NET JRF in 2015 and completed his PhD in 2023, with a research focus on "Spectroscopic Studies on Biologically Active Organic Molecules." His research interests include fluorescence spectroscopy, nanomaterials, fluorescence quenching, and computational studies, such as Gaussian simulations and molecular docking. He has published more than 10 peer-reviewed journal articles and has actively participated in 8 international conferences, presenting oral papers. Additionally, he has reviewed 3 articles for international peer-reviewed journals.