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

Abstract

Summary: 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. Science for society: Sustainability in synthetic chemistry is crucial for reducing environmental impacts and promoting a greener future. Our study provides a comprehensive analysis of how single-atom catalysts minimize greenhouse gas emissions, resource consumption, and waste generation in fine chemical manufacturing. In particular, among the broad spectum of transition metal catalysts, we demonstrate that catalysts made from earth-abundant materials, such as nickel, outperform those based on rare and expensive metals like palladium or iridium, enabling more sustainable and cost-effective chemical production. These catalysts are also recyclable and operate under moderate conditions, resulting in fewer harmful emissions, reduced energy consumption, and lower costs for everyday products—from medicines and personal care items to food additives. Furthermore, the study highlights that using renewable energy sources to power these processes directly supports global efforts to reduce reliance on fossil fuels. Together, these advancements pave the way for greener manufacturing practices that make essential products more affordable while minimizing ecological impacts, ensuring these benefits are accessible to all.

Keywords

• single-atom catalysis
• sustainable catalyst design
• fine chemical synthesis
• life cycle assessment
• techno-economic analysis
• green chemistry