Synthesis, characterization, photo physical and DFT studies of bicoumarin and 3-(3-benzofuranyl)coumarin derivatives

Abstract

• A series of novel bicoumarin and 3-(3-benzofuranyl)coumarin derivatives are synthesized. • Optical band gaps of the synthesized compounds were found to be 2.80–3.87 eV. • The 5% weight loss of derivatives is in the range of 239–367 °C. • The synthesized compounds are thermally stable. A series of novel bicoumarin and 3-(3-benzofuranyl) coumarin derivatives were synthesized by the reaction of salicylaldehyde and substituted coumarin 4-acetic acid/benzofuran-3-acetic acid using cyanuric chloride. The scaffolds were characterized by spectral analysis. The significant photophysical fundamentals for organic electronic applications such as thermal stability, strong and broad optical absorption were investigated for the synthesized compounds. Optical properties are studied in detail by UV-Vis absorption and fluorescence spectroscopy. Optical band gaps of the bicoumarin and 3-(3-benzofuranyl)coumarin derivatives were found to be 2.80–3.87 eV as calculated from their onset absorption edge. The bicoumarin and 3-(3-benzofuranyl)coumarin derivatives exhibit high thermal stability up to 239–367 °C. Density functional theory computation was performed to understand intramolecular charge transfer property. Photophysical studies designate that, the synthesized materials are potential candidates and play an important role in organic electronic applications.