Topology-Guided Design for Sc-soc-MOFs and Their Enhanced Storage and Separation for CO and C-Hydrocarbons.

Evaluating the effect of ligand substitution on metal ions and/or clusters during the MOF growth process is conducive to rational design of isoreticular MOFs with improved performance. Through topological direction and ligand substitution strategy, we herein constructed two Sc-soc-MOFs ( and ) based on two similar rectangular-planar diisophthalate ligands, linear-shaped HEBTC (1,1'-ethynebenzene-3,3',5,5'-tetracarboxylic acid) and zigzag-shaped HABTC (3,3',5,5'-azobenzenetetracarboxylic acid), under solvothermal conditions with formic acid as a modulator. {Sc(ScO)(HO)} () possesses two distinct clusters as SBUs, trinuclear [ScO(CO)] (SBU1) and mononuclear cluster [ScO] (SBU2), which maintain the soc-topology except for the mononuclear [ScO] instead of the corresponding trinuclear [ScO(CO)] in ({(ScO)(HO)(ABTC)(NO)}). Notably, represents a rare soc-MOF with two distinct clusters as SBUs. Due to similar pore spaces, the two Sc-soc-MOF materials both exhibit enhanced and comparable gas sorption and selectivity performances. Specially, their remarkable CH, CH, and CO storage capacity along with prominent CO/CH and C-hydrocarbons/CH separations indicate that these Sc-soc-MOFs are promising adsorbents for natural gas purification under ambient conditions.