Dataset Information

Symmetry-guided syntheses of mixed-linker Zr metal-organic frameworks with precise linker locations.

ABSTRACT: While the one-pot reaction of zirconium metal ions with a mixture of two dicarboxylate heterolinkers yielded a 12-c fcu Zr MOF with randomly distributed linkers, the symmetry-guided stepwise reaction produced the same MOF with both linkers precisely located in the framework. In the latter method, linear terephthalic acid (H₂BDC) derivatives with mmm symmetry were inserted into the mmm-symmetry sites of the flexible Zr MOF with 8-c bcu topology (ZRN-bcu), which is composed of zigzag 2,6-naphthalenedicarboxylic acid with 2/m symmetry. Although the length of the symmetry-matching BDC^2- derivatives was much shorter than the distance between the unlinked nearest-neighbor Zr clusters in ZRN-bcu, induced fitting of the derivatives into the framework was possible, resulting in well-defined locations for the two different dicarboxylate linkers. Thus, controlled synthesis of MOFs with the desired topology and functionality can be achieved using a symmetry-guided approach.

SUBMITTER: Kim H

PROVIDER: S-EPMC6568281 | biostudies-literature | 2019 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Publications

Symmetry-guided syntheses of mixed-linker Zr metal-organic frameworks with precise linker locations.

Kim Hyehyun H Kim Dongwook D Moon Dohyun D Choi Yong Nam YN Baek Seung Bin SB Lah Myoung Soo MS

Chemical science 20190507 22

While the one-pot reaction of zirconium metal ions with a mixture of two dicarboxylate heterolinkers yielded a 12-c fcu Zr MOF with randomly distributed linkers, the symmetry-guided stepwise reaction produced the same MOF with both linkers precisely located in the framework. In the latter method, linear terephthalic acid (H2BDC) derivatives with mmm symmetry were inserted into the mmm-symmetry sites of the flexible Zr MOF with 8-c bcu topology (ZRN-bcu</ ...[more]

PMID: 31293768

Similar Datasets

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.

Dataset Information

Symmetry-guided syntheses of mixed-linker Zr metal-organic frameworks with precise linker locations.

Publications

Symmetry-guided syntheses of mixed-linker Zr metal-organic frameworks with precise linker locations.

Similar Datasets

OmicsDI is part of the ELIXIR infrastructure

Tweets