Unresolved topology of AI-MOF-5

Determine the crystal topology of the aluminum-based metal–organic framework AI-MOF-5 synthesized using 2,3-dimethyl-2-butenedioic acid and aluminum secondary building units, for which powder X-ray diffraction indicated formation of a MOF phase but the topology could not be simulated or assigned.

Background

Within the de-novo synthesis strategy, the authors synthesized an aluminum-based MOF (AI-MOF-5) using the frequently proposed linker 2,3-dimethyl-2-butenedioic acid. Although powder X-ray diffraction (PXRD) suggested that a crystalline MOF phase was obtained, the authors were unable to simulate its topology, leaving the network assignment unresolved.

Assigning the topology of a MOF is crucial for understanding its structural features, pore architecture, and potential application-specific performance (e.g., water harvesting). Clarifying the topology for AI-MOF-5 would help relate its PXRD pattern to a known net or confirm a novel network structure.