A Dy6-cluster-basedfcu-MOF with efficient separation of C2H2/C2H4and selective adsorption of benzene

The separation of C2 hydrocarbon mixtures and VOCs is a very important and challenging process for industrial applications. Metal–organic frameworks (MOFs) have attracted extensive attention as an efficient separation material. In this study, a Dy-MOF {[(CH3)2NH2]2[Dy6(μ3-OH)8(FTZB)6(H2O)6]·(solvent)}n based on the construction of Dy6(μ3-OH)8(CO2)6(N4C)6 SBUs and F-H2tzba (2-fluoro-4-(1H-tetrazol-5-yl)benzoic acid) has been synthesized, which with a high-symmetry fcu topology contains two types of cages modified by free –F groups and uncoordinated tetrazolyl N atoms. The Dy-MOF exhibits high C2H2 and C2H4 storage and remarkable separation efficiency for C2H2–CH4, C2H4–CH4 and C2H2–C2H4 mixtures, as confirmed by breakthrough experiments. The MOF also shows significant selective adsorption ability for benzene/toluene and benzene/cyclohexane. The interactions between the MOF and the adsorbates were studied by molecular simulations.