Advanced Spectroscopic and Theoretical Physics

The spectroscopic methods are the most powerful and useful techniques employed in the understanding of molecular structure, nature of bonding between the atoms, conformational analysis, and symmetry of molecular groups or ions in crystals and also in biological molecules. In this study, the following spectroscopic techniques such as FT-IR, FT-Raman and UV-Visible analysis by chosen anti-diabetic drugs were recorded and subjected to the new trends of theoretical methods. The combination of spectroscopic method and Density Functional Theory (DFT) calculations is strong tool for better understanding of fundamental vibrational properties of the molecules. The goal of obtaining an accurate understanding vibrational frequencies, molecular structure, Natural Bonding Orbital (NBO) analysis, HOMO-LUMO energy and global activity descriptors of anti-diabetic drugs using the Gaussian program, which is developed for performing DFT estimations.