SO Capture by Two Aluminum-Based MOFs: Rigid-like MIL-53(Al)-TDC Breathing MIL-53(Al)-BDC.

Metal-organic frameworks MIL-53(Al)-TDC and MIL-53(Al)-BDC were explored in the SO adsorption process. MIL-53(Al)-TDC was shown to behave as a rigid-like material upon SO adsorption. On the other hand, MIL-53(Al)-BDC exhibits guest-induced flexibility of the framework with the presence of multiple steps in the SO adsorption isotherm that was related through molecular simulations to the existence of three different pore opening phases narrow pore, intermediate pore, and large pore. Both materials proved to be exceptional candidates for SO capture, even under wet conditions, with excellent SO adsorption, good cycling, chemical stability, and easy regeneration. Further, we propose MIL-53(Al)-TDC and MIL-53(A)-BDC of potential interest for SO sensing and SO storage/transportation, respectively.