Optical nonlinearity performance of a new isatin-thiazolidin-4-one hybrid molecule: synthesis, experimental, and DFT studies

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发表日期：

2024年10月9日

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C. A. Emshary,
Ahmed Majeed Jassem,
Qusay M. A. Hassan,
Adil Muala Dhumad,
H. A. Sultan,
Ayat Jawdat Kadhum,
Ayat Naji Hasan,
Noor Hamid Faisal,
Ruaa Qasim Ibrahim,
Nuha Ayad Mohammed,
Nuha Waleed Ali,
Faeza Abdul Kareem Almashal,
Fadhil A. Tuma

摘要

In this work, (Z)-2-((E)-(2-oxoindolin-3-ylidene)hydrazono)-3-phenylthiazolidin-4-one 7 (C₁₇H₁₂N₄O₂S) as a hybrid molecule is synthesized under an easy method and analytically ascertained by ¹HNMR, ¹³CNMR, IR, Mass, and UV–vis. spectroscopies. The optimized geometry of the synthesized hybrid molecule 7 is acquired using DFT-assisted calculations involving B3LYP equation with 6-31G(d,p) as a basis set level. At the same level, TD-DFT calculations are performed to collect the theoretical UV–vis. spectrum of the hybrid molecule 7. The nonlinear optical (NLO) properties of the hybrid molecule 7 are studied under irradiation with a cw laser beam. The nonlinear refractive index (NLRI), n₂, of the hybrid molecule 7 is estimated via diffraction patterns (DPs) and Z-scan. The all optical switching is tested for the hybrid molecule 7 using two, cw, laser beams. Both static and dynamic all-optical switching are studied.