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<p>In this study, a monocarbonyl curcumin analog is synthesized by reacting methyl pyridone with cinnamaldehyde through heating under reflux and sonication. This sonication method, which is a green chemistry technique, has a higher yield (92%) and a shorter reaction time than the stirring method. Infrared, <sup>1</sup>H nuclear magnetic resonance (NMR), and <sup>13</sup>C NMR spectroscopy are used to describe the compounds. The thermodynamic properties are theoretically investigated using density functional theory (DFT) in the PYR-MCC geometric optimization and theoretical investigations. CAM/B3LYP methods (hybrid functional consisting of a 6-311G[d,p] basis set) are utilized to extract the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO). The Mulliken and Hirshfeld atomic charges of the compound are explored. Utilizing diffraction pattern (DPs) and Z-scan techniques, the nonlinear optical (NLO) properties of the PYR-MCC are examined with a continuous-wave (CW) laser beam at a wavelength of 473&#xa0;nm. From the Z-scan analysis it is observed that the PYR-MCC compound exhibits a self-defocusing (SDF) effect and does not have a nonlinear absorption coefficient (NLAC). The nonlinear refractive index (NLRI) of the compound is found to be 7.67 × 10<sup>−7</sup> and 0.14 × 10<sup>−7</sup> cm<sup>2</sup>/W, determined by the two techniques respectively, thus confirming its potential use in photonic applications. The all-optical switching (AOS) property of PYR-MCC compound is investigated utilizing the 473&#xa0;nm and 532&#xa0;nm CW laser beams.</p>

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Ultrasound-Assisted Synthesis of Monocarbonyl Curcumin: Theoretical, Nonlinear Optics, and All-Optical Switching Studies

  • 期刊论文

  • 发表日期：

    2026年6月29日

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  • Hayder S. Mahdi,
  • Qusay M. A. Hassan,
  • Tahseen A. Alsalim,
  • C. A. Emshary,
  • H. A. Sultan,
  • Fadhil S. Kamounah

摘要

In this study, a monocarbonyl curcumin analog is synthesized by reacting methyl pyridone with cinnamaldehyde through heating under reflux and sonication. This sonication method, which is a green chemistry technique, has a higher yield (92%) and a shorter reaction time than the stirring method. Infrared, 1H nuclear magnetic resonance (NMR), and 13C NMR spectroscopy are used to describe the compounds. The thermodynamic properties are theoretically investigated using density functional theory (DFT) in the PYR-MCC geometric optimization and theoretical investigations. CAM/B3LYP methods (hybrid functional consisting of a 6-311G[d,p] basis set) are utilized to extract the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO). The Mulliken and Hirshfeld atomic charges of the compound are explored. Utilizing diffraction pattern (DPs) and Z-scan techniques, the nonlinear optical (NLO) properties of the PYR-MCC are examined with a continuous-wave (CW) laser beam at a wavelength of 473 nm. From the Z-scan analysis it is observed that the PYR-MCC compound exhibits a self-defocusing (SDF) effect and does not have a nonlinear absorption coefficient (NLAC). The nonlinear refractive index (NLRI) of the compound is found to be 7.67 × 10−7 and 0.14 × 10−7 cm2/W, determined by the two techniques respectively, thus confirming its potential use in photonic applications. The all-optical switching (AOS) property of PYR-MCC compound is investigated utilizing the 473 nm and 532 nm CW laser beams.