Sustainability assessment of single-atom catalysts in the transition to greener chemical processes

Fine chemical manufacturing is vital to the global economy, yet it faces growing pressure to address the environmental challenges inherent in its processes and products. In this study, we conducted a comprehensive analysis of various catalytic methodologies employed in the synthesis of fine chemicals by using the coupling of aryl halides and carboxylic acids to yield esters as a representative case. We compared the greenhouse gas emissions and criticality factors associated with the fabrication of various catalytic entities alongside the economic implications of different synthetic routes to yield the targeted ester compound. Our findings reveal key trends and guiding principles for the eco-design of single-atom catalyzed chemical processes, as well as the challenges and opportunities within this space. We emphasize the critical importance of integrating renewable energy sources for long-term sustainability and advocate for the adoption of heterogeneous catalysts over traditional homogeneous systems.