Evaluation of the Antioxidant Properties of Coumarin Derivatives Using Spectroscopic Methods

Coumarin derivatives are perceived as part of defense mechanisms in plants due to their commonly observed antimicrobial, antioxidant, antitumor, anti-inflammatory, and other biological activities. Investigating the molecular structure of coumarin derivatives using computational programs like Gaussian is an effective method for understanding the biological, chemical, and physical properties of these compounds. Therefore, in this study, the molecular structure parameters and spectroscopic (IR, NMR) properties of our coumarin derivative compound were theoretically examined using the DFT method with the B3LYP/LanL2MB basis set. This investigation is crucial for understanding the biological activities of coumarin derivative compounds, obtaining clues for new drug design, and elucidating reaction mechanisms.