Abstract
A new porous MOF, [Mg1.5(HTB)2]·2Me2NH2·3DMF·12MeOH, (1) (HTB = s-heptazine tribenzoate) was successfully synthesized by employing a π-conjugated organic ligand possessing a brick-shaped framework. The activated 1a was investigated as an adsorbent towards a series of vapors (H2O, MeOH, EtOH, n-PrOH and CH2Cl2). The H2O vapor adsorption capacity of 1a can reach 533.9 cm3 g−1. Interesting, the absorption isotherm of MeOH shows an obvious stepwise sorption phenomenon with the saturated adsorption capacity of 300.8 cm3 g−1, whereas the bulker EtOH, n-PrOH and CH2Cl2 present hardly any uptakes. Moreover, the IAST selectivities of equimolar H2O/MeOH and H2O/EtOH vapor mixtures was calculated, GCMC simulations were performed to locate the framework-vapor binding sites.
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