Modulation of global and local dynamics by gas sorption in Metal-Organic Frameworks

Our research is mainly devoted to studying the interplay between gas sorption and the local and global dynamics in Metal-Organic Frameworks. We developed a novel class of MOFs endowed with ultra-fast molecular rotors, which display negligible activation energy for rotational motion with energy barrier as low as 6 - 20 cal/mol. We explored the modulation of their rotational dynamics by guests species, that can be effectively applied to drive a dramatic response of the dynamic properties in the solid state. Recently, we have investigated how the local rotary dynamics can be intrinsically coupled to the global framework flexibility induced by different chemical stimuli. Particularly, complementary experimental evidence and computational modelling elucidate the highly sophisticated rotor-structure interplay induced in a flexible pillared-layer MOF by different chemical stimuli, showing guest-enhanced dynamics of molecular rotors for the first time.