Ru-complexes relevant to olefin catalysis suffer from deactivation reactions whose mechanism is often difficult to understand. We report here a detailed DFT study showing all the steps that convert the starting complex A into the product B first, and then to evolution of B into product C.
- Computational catalysis
- Homogeneous catalysis
- Olefin metathesis
- Reaction mechanisms
ASJC Scopus subject areas
- Process Chemistry and Technology
- Physical and Theoretical Chemistry