Abstract

Hydrogenation of aldehydes (RHO) is one of the frequently used reactions in organic synthesis and pharmaceuticals industries. In this contribution, we have synthesized control shaped and nano-sized tetragonal zirconia (t-ZrO2), palladium supported on zirconia (Pd/t-ZrO2) and nickel promoted palladium supported on zirconia (Ni-Pd/t-ZrO2) though modified microwave irradiation method. All the prepared samples were characterized by Transmission Electron Microscopy (TEM), Scanning Electron Microscopy (SEM), Energy Dispersive X-ray Spectroscopy (EDX), X-ray Diffractometry (XRD), Thermal Gravimetric Analysis (TGA), Brunauer-Emmett-Teller (BET) surface area and pore size analysis, and Fourier Transform Infrared Spectroscopy (FT-IR). Theoretical calculation (DFT) revealed high interaction of Pd with t-ZrO2(101) surface. Furthermore, adsorption energy, support relaxation and charge transfer studies confirmed the stability of Pd on t-ZrO2(101) surface. The catalytic activity of catalysts was tested for cinnamaldehyde (CAL) hydrogenation in a modified microwave reactor. The comparative study of microwave irradiated (MW) and conventional heating (C-Heating) systems show supremacy of MW over C-Heating by a factor of 46% under optimal reaction parameters for Pd/t-ZrO2 catalyst. The stability, life span, conversion and selectivity of Pd/t-ZrO2 under MW system suggest the applicability of the catalysts for a variety of organic hydrogenation reactions.

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