Theoretical design, synthesis and characterization of novel organic self-assembling materials. Conception, Synthèse et Caractérisation de Nouveaux Matériaux Auto-Assemblés.

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The goal of the program is to obtain several new organic clusters having controlled shapes through predicted self-assembly. The subunits are then carefully designed and their self-assembly is then studied by molecular modelling. The clusters are held together by means of weak interactions: H-bonds and van der Walls contacts. Most subunits have C3 symmetry and are either cyclic peptides made from unusual amino acids or polyamides of cis geometry. The cyclic peptides subunits can stack on top of each other to generate wires or tubes having either very strong dipoles like alpha helices or no dipole at all. The other type of subunits having disk shapes can either form sheets like graphite or balls of T, O or I symmetry like buckminsterfullerene, that could encapsulate metals and other molecular objects. Supermolecules of these types could have direct applications in many areas of research and technology such as biological transport, drug delivery, sensing, non-linear optics, conductivity, photonics, gels and other new materials, catalysis, etc.