银纳米粒子官能化的 7-二乙氨基-4-甲基香豆素的增强非线性光学响应和光限制响应:实验和 DFT 综合研究

IF 4.1 3区 化学 Q2 CHEMISTRY, PHYSICAL Journal of Photochemistry and Photobiology A-chemistry Pub Date : 2024-07-23 DOI:10.1016/j.jphotochem.2024.115910
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摘要

本研究说明了 7-二乙氨基-4-甲基香豆素(7DMC)在加入银纳米粒子后非线性光学活性和光学限制活性的增强。理论计算在水、甲醇和二甲基甲酰胺(DMF)三种不同溶剂中进行,并根据能隙选择了 DMF 作为最合适的溶剂。此外,还在 DMF 中制备了液体样品。自然键轨道显示,2O 和 35Ag 的孤对电子分别作为供体和受体分子积极参与。在水、甲醇和 DMF 中,7DMC+Ag3 组合的一阶超极化率分别升至 2002.71 × 10-30 esu、778.72 × 10-30 esu 和 677.12 × 10-30 esu。Z-Scan 光谱中的谷状结构表明制备的样品中存在反向可饱和吸收。与探针 7DMC 和 AgNps 相比,7DMC+AgNps 的光极限阈值有所降低,这表明该组合的光极限特性提前衰减。因此,总体结果验证了组合的光学非线性增强。此外,可以说所提出的纳米粒子组合 7DMC+AgNps 有可能被用于制造激光安全装置和助视器。
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Enhanced nonlinear optical and optical limiting responses of 7-diethylamino-4-methyl coumarin functionalized with silver nanoparticles: A combined experimental and DFT study

The present study accounts for the enhanced nonlinear optical and optical limiting activity of 7-diethylamino-4-methyl coumarin (7DMC) after the addition of silver nanoparticles. The theoretical calculations were done in three different solvents water, methanol, and dimethyl formamide (DMF), and on the basis of the energy gap, DMF was selected as the most suitable solvent. Further, the liquid samples were prepared in DMF. The natural bond orbitals show the active participation of the lone pairs of electrons of 2O and 35Ag as donor and acceptor moieties respectively. The values of first-order hyperpolarizability of the 7DMC+Ag3 combination were raised to 2002.71 × 10−30 esu, 778.72 × 10−30 esu, and 677.12 × 10−30 esu in water, methanol, and DMF. The valley-like structure in the Z-Scan spectra indicated the occurrence of reverse saturable absorption in the prepared samples. The optical limiting threshold of the 7DMC+AgNps was decreased from that of the probe 7DMC and AgNps indicating the early attenuation of the optical limiting nature of the combination. Thus, the overall results validated the enhanced optical nonlinearity of the combination. Moreover, it can be stated that the proposed nanoparticles combination 7DMC+AgNps has potential candidature to be used for the fabrication of laser safety devices and eye aids.

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来源期刊
CiteScore
7.90
自引率
7.00%
发文量
580
审稿时长
48 days
期刊介绍: JPPA publishes the results of fundamental studies on all aspects of chemical phenomena induced by interactions between light and molecules/matter of all kinds. All systems capable of being described at the molecular or integrated multimolecular level are appropriate for the journal. This includes all molecular chemical species as well as biomolecular, supramolecular, polymer and other macromolecular systems, as well as solid state photochemistry. In addition, the journal publishes studies of semiconductor and other photoactive organic and inorganic materials, photocatalysis (organic, inorganic, supramolecular and superconductor). The scope includes condensed and gas phase photochemistry, as well as synchrotron radiation chemistry. A broad range of processes and techniques in photochemistry are covered such as light induced energy, electron and proton transfer; nonlinear photochemical behavior; mechanistic investigation of photochemical reactions and identification of the products of photochemical reactions; quantum yield determinations and measurements of rate constants for primary and secondary photochemical processes; steady-state and time-resolved emission, ultrafast spectroscopic methods, single molecule spectroscopy, time resolved X-ray diffraction, luminescence microscopy, and scattering spectroscopy applied to photochemistry. Papers in emerging and applied areas such as luminescent sensors, electroluminescence, solar energy conversion, atmospheric photochemistry, environmental remediation, and related photocatalytic chemistry are also welcome.
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