Guest-dependent bond flexibility in UiO-66, a "stable" MOF.

Kevin FabrizioAnastasia B AndreevaKentaro KadotaAmanda J Morris Carl K Brozek

Published in: Chemical communications (Cambridge, England) (2023)

We report "flexibility constants"-a conceptual analog to metal-ligand stability constants-of UiO-66, the prototypical "stable" MOF, across a wide temperature range in both vacuum and in the presence of typical guest solvents. With these data, we extract key thermodynamic parameters governing the reversible bond equilibrium and demonstrate that guest molecules strongly favor the reversible dissociation of MOF metal-linker bonds.

Keyphrases

metal organic framework
water soluble
molecular dynamics
oxidative stress
electronic health record
transition metal
molecular dynamics simulations
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aqueous solution
anti inflammatory