Modélisation et catalyse homogène : des acides de Lewis aux acides Bronsted ... en passant par le cuivre !
Molecular modelling and homogenous catalysis: from Lewis to Bronsted acids ... passing through copper catalysis.
Hélène Gérard
Laboratoire de Chimie Théorique, Université Pierre et Marie Curie, Paris, France
Mercredi 16 Mai 2018, 11h00
bibliothèque LCT, tour 12 - 13, 4ème étage
Modelling mechanisms has proved valuable in understanding and improving reaction yields and selectivity in molecular chemistry. In contrast, it remains a challenge when it comes to catalytic reactions. This is sometimes difficult to understand as the failures to reproduce and explain experimental data are most often omitted in the literature, and only the "bright side" of the problem is visible to the community. In this seminar, through the presentation of both the bright and the dark sides of mixed experimental and theoretical studies of catalytic reactions, I will try to highlight the potentials and pitfalls of such studies.