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Metal–Organic Frameworks Possessing Suitable Pores for Xe/Kr Separation
Adsorption
separation of the Xe/Kr mixture remains a tough issue
since Xe and Kr have an inert nature and similar sizes. Here we present
a chlorinated metal–organic framework (MOF) [JXNU-19(Cl)] and
its nonchlorinated analogue (JXNU-19) for Xe/Kr separation. The two
isostructural MOFs constructed from the heptanuclear cobalt-hydroxyl
clusters bridged by organic ligands are three-dimensional structures.
Detailed contrast of the Xe/Kr adsorption separation properties of
the MOF shows that significantly enhanced Xe uptakes and Xe/Kr adsorption
selectivity (17.1) are observed for JXNU-19 as compared to JXNU-19(Cl).
The main binding sites for Xe in the MOF revealed by computational
simulations are far away from the chlorine sites, suggesting that
the introduction of the chlorine groups results in the unfavorable
Xe adsorption for JXNU-19(Cl). The optimal pores, high surface area,
and multiple strong Xe–framework interactions facilitate the
effective Xe/Kr separation for JXNU-19