Solvent exchange in a metal-organic framework single crystal monitored by dynamic in situ X-ray diffraction

Understanding the processes by which porous solid-state materials adsorb and release guest molecules would represent a significant step towards developing rational design principles for functional porous materials. To elucidate the process of liquid exchange in these materials, dynamic in situ X-ray diffraction techniques have been developed which utilize liquid-phase chemical stimuli. Using these time-resolved diffraction techniques, the ethanol solvation process in a flexible metal-organic framework [Co(AIP)(bpy)_0.5(H₂O)]·2H₂O was examined. The measurements provide important insight into the nature of the chemical transformation in this system including the presence of a previously unreported neat ethanol solvate structure.Dynamic in situ single crystal X-ray diffraction revealed unique and important information about the structural reorganization that occurs upon guest exchange in a cobalt-based metal organic framework.