Metal–Organic Framework with Structural Flexibility Responding Specifically to Acetylene and Its Adsorption Behavior

Flexible metal–organic frameworks (MOFs) are one kind of stimuli-responsive materials that exhibit reversible structural transformations in response to external stimuli. Exploring and understanding the stimuli response behavior of flexible MOFs is challenging, as it involves weak host–guest interaction. We report here the unique flexibility of MOF Zn(int)(Ad) (TIF-A1, Hint = isonicotinic acid, Had = adenine) induced by acetylene adsorption. TIF-A1 is rigid toward most gas molecules, while only C2H2 can induce the flexibility of TIF-A1. C2H2-loaded TIF-A1 is characterized by single-crystal X-ray diffraction and molecular modeling. It is revealed that the flexibility of TIF-A1 originates from the strong interaction between acetylene and the framework, which pushes the rotation of the int ligand and the expansion of the framework simultaneously. This work is helpful in deeply understanding the flexibility of MOFs and guides exploring new flexible MOFs in the future.