Optimization of Pore-Space-Partitioned Metal-Organic Frameworks Using the Bioisosteric Concept.

Pore space partitioning (PSP) is methodically suited for dramatically increasing the density of guest binding sites, leading to the partitioned acs (pacs) platform capable of record-high uptake for CO and small hydrocarbons such as CH. For gas separation, achieving high selectivity amid PSP-enabled high uptake offers an enticing prospect. Here we aim for high selectivity by introducing the bioisosteric (BIS) concept, a widely used drug design strategy, into the realm of pore-space-partitioned MOFs.

Pore-Space-Partition-Enabled Exceptional Ethane Uptake and Ethane-Selective Ethane-Ethylene Separation.

An ideal material for CH/CH separation would simultaneously have the highest CH uptake capacity and the highest CH/CH selectivity. But such material is elusive. A benchmark material for ethane-selective CH/CH separation is peroxo-functionalized MOF-74-Fe that exhibits the best known separation performance due to its high CH/CH selectivity (4.

Ligand Charge Separation To Build Highly Stable Quasi-Isomer of MOF-74-Zn.

Built from an unusual high-charge-density ligand 2,5-dioxido-1,4-benzenedicarboxylate (dobdc), MOF-74 M (Mdobdc) have unsurpassed gas uptake and separation properties. It is thus intriguing to mimic or replicate such ligand properties in other chemical systems. Here, we show a ligand charge separation (LCS) model that could offer one pathway toward this goal.