Incorporation of copper nanoparticles into the nitrogen‐doped carbon derived from nitrile functionalized ionic liquid as the non‐precious heterogeneous catalytic system toward nitro compounds reduction reaction, a first principle calculation

Abstract

AbstractBACKGROUNDToday, Nitrogen‐doped carbon materials have gained attention as the robust solid catalyst support for immobilization nanoparticles to expand the heterogeneous catalytic systems due to their chemical and structural stability. Copper nanoparticles, known to be a cost‐effective metal, are one of the most efficient catalyst toward various organic transformations.RESULTSIn this paper, the covalent triazine framework mesoporous solid support was successfully fabricated by applying ionic liquid as a nitrogen containing carbon precursor during the ionothermal process with the help of ZnCl2 molten salt at 400 °C. The immobilization of cost‐effective copper nanoparticles on the surface of the new design support was carried out by using Cu (NO3)2 and N2H4. For characterization of the new heterogeneous catalyst, the combination of different physicochemical analyses was done to confirm the successful preparation of catalyst inclusive Fourier transform infrared spectroscopy, X‐ray diffraction, Field emission scanning electron microscopy, N2 adsorption–desorption isotherm, Raman spectroscopy, and thermogravimetric analysis. Besides, DFT (Density functional theory) calculations have been performed to optimize the constructed structures and to calculate their Fermi levels and density of states.CONCLUSIONThe catalytic capability of this new design catalyst survived in hydrogenation of nitroarenes under aqueous and mild conditions. The result shows that this new heterogeneous mesoporous catalyst has excellent catalytic activity and a high stability towards nitroarenes hydrogenation reaction. Moreover, due to the high stability (thermal and structural), it was recovered and reused up to 7 times without any significant reduction in its catalytic activity. © 2021 Society of Chemical Industry (SCI).