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In this work, we have extensively examined the adsorption and sensing capabilities of C3N nanosheets for aromatic benzene and nitrobenzene detection by doping Pt atoms to modify their surface reactivity. The binding energy for Pt-decorated C3N was determined to be -4.38 eV, which indicates its great stability for adsorption reactions. The Pt4 cluster decorated C3N also shows a large binding energy of -6.44 eV. After C3N doping with Pt atom, the modified nanosheet reveals semiconducting character, indicating the suitability of the substrate for adsorption and sensing studies. The adsorption energies for the most stable structures of nitrobenzene and benzene molecules on the Pt-C3N nanosheet are − 1.16 eV and − 0.93 eV, respectively, indicating the stronger adsorption of nitrobenzene on the surface than the benzene. Thus, the Pt atoms adsorbed to the C3N surface significantly increases the adsorption energy and performance of C3N towards benzene and nitrobenzene molecules. Based on CDD maps, a substantial charge redistribution happens between the Pt-C3N and adsorbed molecules, indicating the dominant effect of adsorption on the electronic properties. The noticeable peak overlaps between the Pt and O atoms demonstrate strong orbital hybridization and chemical bonding between these atoms. Our theoretical results indicate the crucial importance of Pt modified C3N nanosheets in practical applications for benzene and nitrobenzene detection. [ABSTRACT FROM AUTHOR]

Organosilicon chemistry is a valuable branch of chemistry science, particularly in organic synthesis, because compounds containing carbon–silicon (C–Si) bonds are valuable in various fields such as pharmaceuticals, agrochemicals, and materials science. Copper catalysts have emerged as a pivotal tool in the formation of carbon–silicon bonds, offering a sustainable and efficient alternative to traditional methods. The use of copper in catalyzing these reactions is advantageous due to its abundant availability and cost-effectiveness compared to other precious metals. Recent advancements have demonstrated that copper-catalyzed reactions are not only versatile but also exhibit high degrees of regio- and enantioselectivity, making them highly desirable for complex organic synthesis. The ability of copper to facilitate the formation of C(sp3)–Si bonds is particularly noteworthy, as these bonds are integral in the development of pharmaceuticals and in the synthesis of silicon-containing organic compounds, which are valuable in materials science. Moreover, the mild reaction conditions, coupled with the low toxicity of copper catalysts, align well with the principles of green chemistry, further underscoring the benefits of this approach. This review outlines the recent applications of copper catalysts (from 2010 to 2024) in the preparation of organosilicon compounds by substitution reactions and by addition reactions to imine, aldehyde and C=C double bonds.Graphical Abstract: Organosilicon chemistry is a valuable branch of chemistry science, particularly in organic synthesis, because compounds containing carbon–silicon (C–Si) bonds are valuable in various fields such as pharmaceuticals, agrochemicals, and materials science. Copper catalysts have emerged as a pivotal tool in the formation of carbon–silicon bonds, offering a sustainable and efficient alternative to traditional methods. The use of copper in catalyzing these reactions is advantageous due to its abundant availability and cost-effectiveness compared to other precious metals. Recent advancements have demonstrated that copper-catalyzed reactions are not only versatile but also exhibit high degrees of regio- and enantioselectivity, making them highly desirable for complex organic synthesis. The ability of copper to facilitate the formation of C(sp3)–Si bonds is particularly noteworthy, as these bonds are integral in the development of pharmaceuticals and in the synthesis of silicon-containing organic compounds, which are valuable in materials science. Moreover, the mild reaction conditions, coupled with the low toxicity of copper catalysts, align well with the principles of green chemistry, further underscoring the benefits of this approach. This review outlines the recent applications of copper catalysts (from 2010 to 2024) in the preparation of organosilicon compounds by substitution reactions and by addition reactions to imine, aldehyde and C=C double bonds. [ABSTRACT FROM AUTHOR]