Non-noble metal catalysis for Cross-coupling reactions: Computational insights

Promovendus/a: Andrea Daru

Promotor(en): Prof. dr. Jeremy Harvey, Prof. dr. Xile Hu

Catalysis plays a pivotal role in our society since we are critically dependent on plastic materials and pharmaceutical products of which many steps of their industrial production are led by catalyzed processes.
Accordingly, the development of a new catalytic systems based on transition metals is very active.
However, catalysts are, nowadays, mainly made by organometallic complexes based on rare and precious noble metals such as Pd, Pt, Ir.
These types of catalysts made out of noble metals are very efficient, however, they carry with their performances the drawback of being highly toxic, scarce, and expensive.
This aspect is forcing the catalysis field to move on to the development of catalysts based on non-noble metals such as Fe, Ni, and Co.
The aim of this thesis and the related results are contained in these statements.