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A stable scandium(III) metal-organic framework with introduced nitrate ions for enhancing C2H6/C2H4 selectivity in the separation of MTO products
Yajun Gao*, Xinyu Yang, Jian Su, Zhizhong Li
https://doi.org/10.1016/j.cjsc.2025.100576
ABSTRACT
Based upon the thiophene-2,5-dicarboxylic acid (H2Tdc), a novel [Sc3(μ2-OH)3(CO2)4O6]n inorganic chain-based Sc-MOF with decorated nitrate ions, {[Sc3(OH)2(Tdc)3(NO3)]⋅H2O}∞ (AEU-1; AEU for Army Engineering University of PLA), was synthesized, which shows good water and chemical stabilities. Significantly, due to channel constriction accompanied by the polar window caused by introducing nitrate ions, AEU-1 exhibits high C2H6/C2H4 adsorption selectivity comparable to many famous C2H6-selective MOFs, making it a promising candidate for the purification of methanol-to-olefin (MTO) products. Furthermore, theoretical investigations reveal that the introduced nitrate ions in AEU-1 as the main adsorption sites could provide strong interactions between the framework and C2H6/C3H6 in the full-contacting mode, leading to an increase in the adsorption enthalpies (Qst) of C2H6 and C3H6, and thus further improving the C2H6/C2H4 and C3H6/C2H4 adsorption selectivity. Our work could open up a new avenue for constructing MOFs with inorganic polar moieties as adsorption sites for one-step C2H4 purification and C3H6 recovery from MTO mixtures with high selectivity.
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