The breathing behavior of the MIL-53(Cr) metal-organic framework (MOF) has been explored previously upon guest-adsorption and thermal and mechanical stimuli. Here, advanced molecular simulations based on the use of an accurate force field to describe the flexibility of this porous framework demonstrate that the application of an electrical field induces the structural switching of this MOF lead...

This investigation is based on a combination of experimental tools completed by a computational approach to deeply characterize the unusual adsorption behavior of the flexible MIL-53(Fe) in the presence of short linear alkanes. In contrast to the aluminum or chromium analogues we previously reported, the iron MIL-53 solid, which initially exhibits a closed structure in the dry state, shows more...

A new gallium based metal-organic framework, denoted as Ga-MIL-53-FcDC, with the chemical formula [Ga(OH)(FeC12H8O4)] was synthesized using ferrocene containing linker molecule 1,1’-ferrocenedicarboxylic acid (H2FcDC, FeC12H10O4). The porous nature of compound could be confirmed by nitrogen sorption and a specific surface area 270 m2/g determined. persistence complex inside structure Mössbauer-...