التفاصيل البيبلوغرافية
| العنوان: |
Spectroscopic, DFT and Z-scan assisted study of an azo compound N-(2,6-dimethylphenyl)-4-(4-chlorophenyl) thiazol-2-amine. |
| المؤلفون: |
Moses, Liji E., Pari, S., Joe, Isaac Hubert, Sarojini, B. Kunhanna, Majalakere, Krishnakishore |
| المصدر: |
AIP Conference Proceedings; 2023, Vol. 2770 Issue 1, p1-9, 9p |
| مصطلحات موضوعية: |
AZO compounds, OPTICAL limiting, POTENTIAL energy, CHARGE transfer |
| مستخلص: |
In a systematic way the structure of a newly synthesised thiazole compound N-(2,6-dimethylphenyl)-4-(4-chlorophenyl) thiazol-2-amine was evaluated. The geometrical parameters, vibrational wavenumbers and hyperpolarizability were calculated theoretically. Charge transfer interactions in the molecule are evaluated using NBO and HOMO-LUMO analysis. The spectral data were obtained using FT-IR and FT-Raman analysis. The vibrational wavenumbers were interpreted in terms of potential energy distribution results. The Z-scan analysis gives an insight in to the two-photon absorption behaviour of the molecule. The negative sign of nonlinear refraction confirms the self-defocussing behaviour. The molecule's potential and compatibility in optical limiting applications are revealed by open aperture Z-scan investigations. [ABSTRACT FROM AUTHOR] |
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| قاعدة البيانات: |
Complementary Index |
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