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

Acta Crystallogr B Struct Sci Cryst Eng Mater. 2017 Aug 1;73(Pt 4):669-674. doi: 10.1107/S2052520617008447. Epub 2017 Jul 25.

Abstract

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.

Keywords: dehydration; dynamic in situ X-ray diffraction; metal–organic framework; single-crystal to single-crystal; time resolved.