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Crystal engineering on superpolyhedral building blocks in metal–organic frameworks applied in gas adsorption
Author(s) -
Chen YingPin,
Liu TianFu,
Fordham Stephen,
Zhou HongCai
Publication year - 2015
Publication title -
acta crystallographica section b
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.604
H-Index - 33
ISSN - 2052-5206
DOI - 10.1107/s205252061501584x
Subject(s) - carboxylate , metal organic framework , octahedron , tetragonal crystal system , crystal engineering , adsorption , bet theory , natural bond orbital , supercritical fluid , crystal structure , materials science , metal , crystallography , chemistry , inorganic chemistry , topology (electrical circuits) , molecule , stereochemistry , organic chemistry , metallurgy , mathematics , supramolecular chemistry , combinatorics
Two metal–organic frameworks [PCN‐426(Ni) and PCN‐427(Cu)] have been designed and synthesized to investigate the structure predictability using a SBB (supermolecular building blocks) approach. Tetratopic ligands featuring 120° angular carboxylate moieties were coordinated with a [Ni 3 (μ 3 ‐O)] cluster and a [Cu 2 O 2 ] unit, respectively. As topologically predicted, 4‐connected networks with square coordination adopted the nbo net for the Ni‐MOF and ssb net for the Cu‐MOF. PCN‐426(Ni) was augmented with 12‐connected octahedral SBBs, while PCN‐427(Cu) was constructed with tetragonal open channels. After a CO 2 supercritical drying procedure, the PCN‐426(Ni) possessed a Brunauer–Emmett–Teller (BET) surface area as high as 3935 m 2 g −1 and impressively high N 2 uptake of 1500 cm 3 g −1 . This work demonstrates the generalization of the SBB strategy, finding an alternative to inconvenient synthetic processes to achieve the desired structural features.