Crystallographic studies of gas sorption in metal–organic frameworks

DOI: 10.1107/S2052520614009834
PMID: 24892587

Authors: Elliot J Carrington (University of Sheffield) , Iñigo J. Vitórica-yrezábalinigo (The University of Sheffield) , Lee Brammer (University of Sheffield)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Acta Crystallographica Section B Structural Science, Crystal Engineering And Materials , VOL 70 , PAGES 404 - 422

State: Published (Approved)
Published: June 2014

Abstract: Metal-organic frameworks (MOFs) are a class of porous crystalline materials of modular design. One of the primary applications of these materials is in the adsorption and separation of gases, with potential benefits to the energy, transport and medical sectors. In situ crystallography of MOFs under gas atmospheres has enabled the behaviour of the frameworks under gas loading to be investigated and has established the precise location of adsorbed gas molecules in a significant number of MOFs. This article reviews progress in such crystallographic studies, which has taken place over the past decade, but has its origins in earlier studies of zeolites, clathrates etc. The review considers studies by single-crystal or powder diffraction using either X-rays or neutrons. Features of MOFs that strongly affect gas sorption behaviour are discussed in the context of in situ crystallographic studies, specifically framework flexibility, and the presence of (organic) functional groups and unsaturated (open) metal sites within pores that can form specific interactions with gas molecules.

Journal Keywords: metal–organic frameworks; gas sorption; framework flexibility

Subject Areas: Chemistry


Instruments: I19-Small Molecule Single Crystal Diffraction

Other Facilities: ESRF; Daresbury SRS