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The modulator driven polymorphism of Zr(IV) based metal-organic frameworks.

ABSTRACT: The reaction of ZrCl4 and 2,5-thiophenedicarboxylic acid (H2tdc) in the presence of trifluoroacetic acid (Htfa) as modulator results in the formation of the new metal-organic framework (MOF) named DUT-126 (DUT?=?Dresden University of Technology). The nature and concentration of modulators are found to be decisive synthetic parameters affecting the topology of the formed product. DUT-126 ( HBR: ) extends the series of polymorphs differing in topology, namely DUT-67 ( REO: ), DUT-68 ( BON: ) and DUT-69 ( BCT: ) to four, where DUT-67 and DUT-68 show the same eight-connected secondary building units as in DUT-126. In DUT-126, linker molecules have a peculiar orientation, resulting in HBR: topology, which is described for the first time in this work for MOFs. DUT-126 contains three pore types, including two micropores surrounding mesoporous channels. DUT-126 is stable against hydrolysis and features permanent porosity with a specific surface area of 1297?m2?g-1 and a total pore volume of 0.48?cm3?g-1, calculated from the nitrogen physisorption isotherm measured at 77?K.This article is part of the themed issue 'Coordination polymers and metal-organic frameworks: materials by design'.

SUBMITTER: Drache F

PROVIDER: S-EPMC5179932 | biostudies-literature | 2017 Jan

REPOSITORIES: biostudies-literature

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The modulator driven polymorphism of Zr(IV) based metal-organic frameworks.

Drache Franziska F Bon Volodymyr V Senkovska Irena I Getzschmann Jürgen J Kaskel Stefan S

Philosophical transactions. Series A, Mathematical, physical, and engineering sciences 20170101 2084

The reaction of ZrCl<sub>4</sub> and 2,5-thiophenedicarboxylic acid (H<sub>2</sub>tdc) in the presence of trifluoroacetic acid (Htfa) as modulator results in the formation of the new metal-organic framework (MOF) named DUT-126 (DUT = Dresden University of Technology). The nature and concentration of modulators are found to be decisive synthetic parameters affecting the topology of the formed product. DUT-126 ( HBR: ) extends the series of polymorphs differing in topology, namely DUT-67 ( REO: ), ...[more]

PMID: 27895257

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Project description:As the world population continues to grow, there is also a rising concern regarding water pollution since this condition could negatively impact the supply of clean water. One of the most recent concerns is related to the pollution that comes from various pharmaceuticals, in particular non-steroidal anti-inflammatory drugs (NSAIDs) since they have been industrially produced at large scale and can be easily purchased as an over-the-counter medicine. Diclofenac is one of the most popular NSAIDs because of its high-effectiveness, which leads to its excessive consumption. Consequently, its presence in water bodies is also continuously increasing. An adsorption process could then be employed as a highly effective method to address this issue. In comparison to other conventional adsorbents such as activated carbon, the use of metal-organic frameworks (MOFs) as an alternative adsorbent is very attractive since it can offer various advantages such as tailorability and high adsorption capacity. In this study, the performance of three water-stable, free-base porphyrin MOFs assembled using zirconia-based nodes, namely MOF-525, MOF-545, and NU-902, for diclofenac adsorption was thoroughly investigated. Interestingly, although all three free-base porphyrin MOFs are assembled using the same building block and have a similar specific surface area (based on the experimental argon physisorption and calculation based on non-localized density functional theory), their diclofenac adsorption capacity is substantially different from one another. It is found that the highest diclofenac adsorption capacity is shown by MOF-525, which has maximum capacity around 792 mg g-1. This is then followed by MOF-545 and NU-902 that have adsorption capacities around 591 and 486 mg g-1, respectively. Some possible adsorption mechanisms are then thoroughly discussed that might contribute to this phenomenon. Lastly, their performance is also compared with other MOFs that are also studied for this purpose to show their performance superiority not only in terms of adsorption capacity but also their affinity towards the diclofenac molecule, which might be useful as an adsorption performance indicator in the real condition where the contaminant concentration is considerably low.

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The modulator driven polymorphism of Zr(IV) based metal-organic frameworks.

Publications

The modulator driven polymorphism of Zr(IV) based metal-organic frameworks.

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