Cobalt ferrite; DFT study; Heterogeneous catalysis; Magnetic nanomaterials; Oxidation; Cobalt ferrites; Efficient synthesis; Heterogeneous catalyst; Material application; Simple++; Spinel ferrites; Spinel-ferrite nanoparticles; Styrene oxidation; Catalysis; Physical and Theoretical Chemistry
Abstract :
[en] A simple and efficient synthesis of cobalt and zinc spinel ferrite nanoparticles Zn1−xCoxFe2O4 (x = 0, 0.5) by sol–gel (SG) and co-precipitation methods was successfully developed as a heterogeneous catalyst for styrene oxidation using tert-butyl hydroperoxide as the oxidant and acetonitrile as an effective solvent. The structural properties of the nanoparticles were characterized by X-ray diffraction, Fourier transform infrared, and Raman spectroscopies. Morphological analysis was determined by scanning electron microscopy and energy-dispersive X-ray spectroscopy. The investigation showed that Zn0.5Co0.5Fe2O4 prepared via the SG method exhibited promising catalytic activity towards styrene epoxide with a conversion rate of 75% and a notable selectivity of 60%. Furthermore, the catalyst demonstrated excellent stability and efficiency after five successive runs. Density functional theory and non-covalent interactions analysis were used to gain deeper insight into the mechanistic aspect.
Abdallah, Nayad; Molecular Chemistry Laboratory, Faculty of Sciences Semlalia (UCA-FSSM), Cadi Ayyad University, Marrakech, Morocco ; High Throughput Multidisciplinary Research (HTMR), Mohammed VI Polytechnic University, Benguerir, Morocco
Fkhar, Lahcen ; Université de Liège - ULiège > Complex and Entangled Systems from Atoms to Materials (CESAM)
Aflak, Noura; Department of Chemistry, Faculty of Sciences, Ibn Zohr University, Agadir, Morocco ; Laboratory of Analytical and Molecular Chemistry, Faculty of Poly-Disciplinary, Cadi Ayyad University, Safi, Morocco
Bahsis, Lahoucine; Laboratory of Analytical and Molecular Chemistry, Faculty of Poly-Disciplinary, Cadi Ayyad University, Safi, Morocco
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