Sustainable ethenolysis of renewable seed oils with novel ruthenium-based catalysts

In recent years, scientists have increasingly sought eco-friendly synthetic methods. A notable approach is olefin metathesis, particularly the ethenolysis of renewable seed oils – a sustainable route to craft high-value chemicals. This technique utilizes biomass, such as plant oils, offering a green alternative to conventional crude oil and petrochemical sources. The promise of creating sustainable processes shines through when we synthesize valuable chemicals using olefin metathesis. However, as we make improvements in sustainable ethenolysis to contribute to the global energy transition, challenges emerge, especially in dealing with metathesis reactions to produce fine chemicals from renewable sources. This is where the spotlight turns to the essential need for catalysts that are economical, robust, and recyclable. They are the components that make sure these eco-friendly processes go from ambitious ideas to real-world solutions.

The goal of this project is to design and synthesize new ethenolysis catalysts. The performance of this new class of ethenolysis catalysts will be evaluated by means of computational investigations based on quantumchemical methods. The objectives of this research proposal are planned to be accomplished by three tasks based on computational investigations: (1) assessment of the catalyst activation of the in silico designed Ru complexes, (2) determination of catalyst stability due to chemical decomposition, and (3) evaluation of the performance in catalytic cycles with emphasis on ethenolysis of renewable seed oils. In this regard, the energy barriers limiting the reactions shall be calculated; then, in task (4) the Ru complexes that perform metathesis at lower energy barriers will be synthesized in laboratory conditions to assess their catalytic activity. The overall expected result in this scientific project is the introduction of Ru complexes that efficiently catalyze ethenolysis reactions, which serve as a sustainable solution for the synthesis of specific olefinic compounds that have not been explored to date.