From crystallogenesis processes to structures of porous solids: Monochromator and Lock-system for upgrading complementary XRPD and liquid NMR equipments

Equipment, AAP 2018-4

Team: Molécules, Interactions et Matériaux (MIM), Institut Lavoisier de Versailles

Project leader: Nathalie Guillou


Understanding the relationship between the mechanisms of formation occurring in solution and the topology of the resulting solids is essential to develop comprehensive and predictable chemistry. To reach this goal, strong complementary skills on NMR and X-ray powder diffraction are required, that need concomitantly a focusing Ge(111) monochromator and a NMR lock-system. Indeed, mounting a focusing monochromator on the diffractometer allows the removal of Ka2 component and K satellite lines of copper radiation in order to half the number of peaks in diffraction pattern as well as the reduction of their full width at half maximum, thereby significantly reducing peak overlap. In the case of too complex structures, the use of synchrotron could be required. However, monochromatic data collection is also an asset, demonstrating that synchrotron X-ray source is absolutely needed to obtain in depth structural investigations of potentially relevant porous compounds. These two accessories of NMR and XRD appear as a relevant and valuable complementary technical set to carry out targeted high quality measurements (liquid state 500 MHz NMR and CuKa1 XRD data) and to push the limits of the knowledge into the crystallogenesis processes of MOFs in relationship to their structural analysis.