Zinc ferrite as a sustainable and robust catalyst for Suzuki–Miyaura cross-coupling reaction: an experimental and theoretical analysis

Abstract

Herein, we report for the first time an innovative approach to Suzuki–Miyaura cross-coupling reaction of aryl halides using ZnFe₂O₄ nanoparticles, a magnetically recoverable heterogeneous catalyst. This work subdues the challenges in coupling aryl fluorides with aryl boronic acids to give the corresponding biaryl scaffolds via a green protocol. The green chemistry achievement is quantitatively validated through E-factor and RME calculations, highlighting its environmental and economic advantages. The crystalline nature and nanostructure of the catalyst are established using sophisticated techniques such as SEM, TEM, IR, XRD and VSM etc. Data from XPS and ICP-MS provide the qualitative and quantitative analysis of elements in the sample. The mechanistic reaction pathway of this work was well established using DFT. This MNP proves to be a better catalyst in comparison to other published works as it requires a short reaction time without using Pd and provides a moderate to high yield of products. The imbuement of magnetic properties expedites facile catalyst separation, showcasing the potential of this protocol for cost-effective cross-coupling reactions.