Investigation of electronic and optical properties of nano-Ag produced from heterocyclic compounds by green chemistry reactions

Abstract

The synthesis of nanoparticles using biological molecules has become one of the current research areas due to the high toxic content, poor stability, and expensive production technologies of nanoparticles synthesized by physical and chemical technologies. With the approach called green synthesis, nanoparticles that do not contain toxic substances have been produced in a method that does not harm the environment and human health. The number of polyphenol compounds in the ethyl alcohol/water extract of propolis collected from the Muğla-Türkiye region was determined. The synthesis and characterization of silver nanoparticles were carried out using the ethyl alcohol/water extract of propolis. The descriptions of the synthesized nanoparticles were made using ultraviolet-visible absorption and attenuated total reflection-Fourier transform infrared. Scanning electron microscopy, energy-dispersive X-ray, and X-ray diffraction methods were used for morphological examinations. Which polyphenol compound in the propolis content is effective in the synthesis of nanosilver particles was investigated with a Gaussian 16 package program. The electronic properties of the compounds were obtained by density functional theory using boundary orbitals theory, molecular electrostatic surface potential, and nonlinear optical properties. Epigallocatechin gallate, Kaempferol, and Quercetin are effective in obtaining nano-Ag and can be used as organic optical material in technology.

Keywords

• Propolis
• Green chemistry
• Nano-Ag
• Density functional theory
• Non-linear optical properties

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