Carbon–carbon bond formation reaction overactive sites of heterogeneous catalysts: understanding the role of catalytic sites with reaction mechanism, performance, stability, and product selectivity

Abstract This paper provides an in-depth examination of carbon–carbon bond formation processes facilitated by heterogeneous catalysts. It highlights the crucial roles of active sites, structure-activity relationships (SARs), stability determinants, and classifications of catalysts. Active sites, characterized by distinct atomic arrangements, reduce the activation energy and enhance reaction selectivity and efficiency. The SAR framework elucidates the effect of structural characteristics, including pore size, surface area, crystal structure, and metal distribution, on catalytic performance. Stability challenges, such as heat deterioration, sintering, leaching, and poisoning, were analyzed. This indicates that resin-based catalysts exhibit greater durability and recyclability compared to metal oxides and silica-based systems. Comparative evaluations highlight the trade-offs between activity, stability, and industrial applicability, with resin-based catalysts exhibiting superiority in sustainable processes. The metal oxides offer durability in high-temperature applications. Case studies on methods such as benzene hydrogenation and carbon monoxide oxidation highlight the practical importance of catalyst design in these reactions. Emerging advances in nanocatalysis, green chemistry, and computer modeling are examined, highlighting their potential to enhance catalyst engineering. This study emphasizes the significance of understanding active site dynamics and structural influences in developing efficient, durable, and sustainable catalytic systems. The study facilitates substantial progress in chemical synthesis and the development of industrial catalysts.