Stepwise crystallographic visualization of dynamic guest binding in a nanoporous framework.

ABSTRACT: Binding sites are at the heart of all host-guest systems, whether biological or chemical. When considering binding sites that form covalent bonds with the guest, we generally envision a single, highly specific binding motif. Through single-crystal X-ray crystallography, the dynamic binding of a guest that displays a variety of covalent binding motifs in a single site of adsorption is directly observed for the first time. The stepwise crystallographic visualization of the incorporation of I₂ within a porous MOF is presented, wherein the preferred binding motifs throughout the uptake process are identified. The guest I₂ molecules initially bind with terminal iodide atoms of the framework to form [I₄]^2- units. However, as the adsorption progresses,

SUBMITTER: Brunet G 

PROVIDER: S-EPMC5465547 | biostudies-literature | 2017 Apr

REPOSITORIES: biostudies-literature