Abstract

In this presentation I will focus on joint synergistic efforts between experiment and theory in the field of main group reactivity and catalysis. I will show examples in group 2 reactiviy toward small molecules such as CO and N2 with comparison with f-element reactions. I will also show some work on polymerization/depolymerization of MMA-based copolymers using simple Lewis Acid-Lewis base catalyst. The latter example will show how one can design polymers to allow his final depolymerization. I will focus on the mechanistic aspects of these different type of reactivity by discussing reaction profiles computed using DFT methods.