Chiral molecules at surfaces: A quantum chemical approach

COLL 543

Philippe Sautet, Laboratoire de Chimie, Laboratoire de Chimie, Ecole Normale Supérieure de Lyon, 46 Allee d'Italie, 69364 Lyon Cedex 07, France
The adsorption of chiral molecules at metallic surfaces will be presented on the basis of density functionnal theory calculations. There are two main strategies in order to induce enantioselectivity on a heterogeneous catalyst. The first one is to adsorb a chiral modifier on the surface. The adsorption of tartaric acid has been studies on a Cu(110) surface. These molecules form "chiral" extended domains on the surface and the calculations allow to understand the origin of this asymmetric packing. The second strategy consist in grafting a chiral auxiliary on the reactant molecule. We will show how asymmetric hydrogenation of o-toluic acid and derivatives can be reached by this technique.
 

Chiral Surfaces

Division of Colloid and Surface Chemistry
The 225th ACS National Meeting, New Orleans, LA, March 23-27, 2003