Synthesis, characterization, DFT and photophysical studies of new class of 1,3,4-oxadiazole-isobenzofuran hybrids
| Autor: | Prinston Melroy Lewis, Rajeev K. Sinha, Suresh D. Kulkarni, Santosh L. Gaonkar, Swarnagowri Nayak |
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| Rok vydání: | 2021 |
| Předmět: |
Materials science
Photoluminescence Isobenzofuran Biophysics Quantum yield Oxadiazole 02 engineering and technology General Chemistry 010402 general chemistry 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Biochemistry Atomic and Molecular Physics and Optics 0104 chemical sciences chemistry.chemical_compound chemistry Physical chemistry Molecule Quantum efficiency Density functional theory 0210 nano-technology Spectroscopy |
| Zdroj: | Journal of Luminescence. 238:118212 |
| ISSN: | 0022-2313 |
| Popis: | Oxadiazole-based molecules are a fascinating and continuously developing area of research. These compounds show motivating luminescent properties, emitting blue to green light with high quantum efficiency depending on the substituents attached to the oxadiazole ring. New 1,3,4-oxadiazole derivatives bearing isobenzofuran moiety were designed and synthesized and their optical properties were studied. All synthesized compounds were characterized using FTIR, NMR, and mass spectrometry. The UV–visible spectroscopy, photoluminescence spectroscopy, and quantum efficiency were determined at room temperature. The structural and absorption properties of the molecules were investigated using density functional theory (DFT) calculations. The orbital picture of all the excitations involved in these transitions were identified as π->π*. The experimental data and the DFT calculated FTIR and UV–visible spectral data are in good agreement. The fluorescence spectra of molecules show emission in the range from 343-393 nm and exhibit high quantum yield. |
| Databáze: | OpenAIRE |
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