Réactivité chimique dans des macromolécules: étude théorique et expérimentale – CREAM

Creating an environmentally friendly Chemistry is a necessity from the point of view of sustainable development. In the last decade, many research efforts have been done to meet this important challenge. Indeed, Chemistry involves a colossal industrial activity and therefore any innovations in this domain are likely to cause a large societal impact. A variety of new synthetic methods and techniques have been explored with encouraging results. New ideas are emerging and some authors do not hesitate to speak about a 'green revolution in Chemistry'. Nevertheless, we are still at the very beginning of the road and much work remains to be done. In the present project, we propose a joint theoretical and experimental approach that deals with one of the '12 principles of green chemistry' enounced a few years ago by Anastas and Warner: the use of safer solvents and more efficient catalysts. This represents a vast domain of research but there is an increasing interest in aqueous processes mediated by molecular reactors and biomimetic catalysts. Cyclodextrins and other macromolecules possessing a hydrophilic exterior and a hydrophobic cavity of nanometric size are especially attractive. They behave much like enzymes, the cavity playing the role of recognition site. Our project will focus on these systems. The objectives will be: 1) developing new theoretical tools, in particular quantum-classical models of increasing complexity, 2) investigate fundamental reaction mechanisms in macromolecules in order to get a deeper insight into enviromental effects in these reaction media, and 3) investigate a new family of biomimetic cyclodextrin - crown ether catalysts through a combined theoretical and experimental approach. To reach these objectives, the project will bring together the expertise of theoretical, organic and physical chemists from the SRSMC laboratory at Nancy (UMR CNRS 7565). Collaboration with two European laboratories (Spain and Denmark) is envisaged too.