Partial Linker Substitution Strategy to Construct a Quaternary HKUST-like MOF for Efficient Acetylene Storage and Separation.

Multicomponent metal-organic frameworks (MOFs) have received much attention as emerging materials capable of precisely programing exquisite structures and specific functions. Here, we applied a partial linker substitution strategy to compile an HKUST-1-like quaternary MOF by introducing a bifunctional ligand into the well-known HKUST-1 structure. , a new HKUST-like topology MOF, was assembled with paddlewheel [Cu(COO)], triangular metallocycle pyrazole cluster Cu(μ-OH) (NN) building blocks, and two distinct linkers. exhibited good mechanical stability, water stability, and chemical stability (pH = 3-12) in aqueous solutions. Moreover, the porous environments created by this multicomponent primitive endow with high CH storage and significantly selective separation performance of CH/CO. Dynamic breakthrough experiments and ideal adsorbed solution theory calculations further demonstrate that can selectively capture CH from CH/CO mixtures under ambient conditions. Based on grand canonical Monte Carlo simulations, the high CH separation performance of is attributed to the π-complex formed between the CH molecule and the trinuclear metallocycle clusters on the wall, which provides stronger affinity for CH recognition than the CO molecule.