Determination of the dehydration pathway in a flexible metal-organic framework by dynamic in situ x-ray diffraction

Ian M Walton; Jordan M Cox; Shea D Myers; Cassidy A Benson; Travis B Mitchell; Gage S Bateman; Eric D Sylvester; Yu-Sheng Chen; Jason B Benedict

doi:10.1063/4.0000015

Determination of the dehydration pathway in a flexible metal-organic framework by dynamic in situ x-ray diffraction

Struct Dyn. 2020 Jun 23;7(3):034305. doi: 10.1063/4.0000015. eCollection 2020 May.

Authors

Ian M Walton¹, Jordan M Cox¹, Shea D Myers¹, Cassidy A Benson¹, Travis B Mitchell¹, Gage S Bateman¹, Eric D Sylvester¹, Yu-Sheng Chen², Jason B Benedict¹

Affiliations

¹ Department of Chemistry, University at Buffalo, The State University of New York, Buffalo, New York 14260-3000, USA.
² Center for Advance Radiation Sources, The University of Chicago, Argonne, Illinois 60439, USA.

Abstract

Understanding guest exchange processes in metal-organic frameworks is an important step toward the rational design of functional materials with tailor-made properties. The dehydration of the flexible metal-organic framework [Co(AIP)(bpy)0.5(H₂O)]•2H₂O was studied by novel in situ dynamic x-ray diffraction techniques. The complex mechanism of dehydration, along with the as-yet unreported metastable structures, was determined. The structural information obtained by the application of these techniques helps to elucidate the important guest-host interactions involved in shaping the structural landscape of the framework lattice and to highlight the importance of utilizing this technique in the characterization of functional framework materials.