Reaction and Proton Transport Dynamics in Non-Porous Molecular Crystals

Orateur : Larry R. FALVELLO (Universidad de Zaragoza - CSIC, Departamento de Química Inorgánica and ICMA - Zaragoza - Spain)

Experimental evidence from single-crystal x-ray and neutron diffraction is used to elucidate possible mechanisms for the movement of protons and small molecules through channel-free molecular crystals. After a brief introduction to the motivation for the massive use of single crystal diffraction in coordination chemistry, the results of several dehydration/rehydration processes in single crystals of metal-organic compounds will be presented. With the crystal acting as a scaffold, dehydration and rehydration give rise to results as varied as the formation of an unusual seven-coordinate Co(II) species in a cobalt citrate cubane, or the loss and reacquisition of crystallinity in crystals of a two-dimensional Gd citrate polymer, or the solid-state emulation of an associative substitution mechanism at a Cu(II) center in a polar crystal of an orotate-bridged Co(II)/Cu(II) copolymer. The previously reported proton transport in a manganese citrate coordination polymer is re-explored, revealing three local proton-transport mechanisms.

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