Modulating BODIPY-Based Silver Chalcogenide Cluster-Based Metal–Organic Frameworks for Real-Time Decontamination of a Gaseous Sulfur Mustard Simulant

Chemical
warfare agents, such as sulfur mustard (HD),
pose an ongoing
global threat. To get closer to the actual scene, immediate detoxification
of a flowing gaseous HD simulant is indispensable, yet which faces
challenges for the current catalysts. Here, we systematically investigate
the detoxification of a gaseous HD simulant (2-chloroethyl ethyl sulfide,
CEES) by a continuous flow device in gas–solid conditions under
visible light irradiation. Notably, a new catalyst (Ag12–BDP-I) was successfully
synthesized by ingeniously integrating a boron-dipyrromethene (BDP)-based
linker modified with the heavy iodine and silver clusters as the secondary
building unit. The adequate porosity, sufficient adsorbate–adsorbent
interactions, and favorable hydrophobic microenvironments enable the
immediate photocatalytic decontamination of CEES at a flow rate of
20 mL/min, even in the water vapor atmosphere. By combining catalytic
characterization and density functional theory calculations, we elucidated
the relationship between the material’s structure and performance.
This study offers valuable insights into the development of metal–organic
frameworks for the decontamination of toxic gaseous substances.