Three metal–organic framework isomers of different pore sizes for selective CO<sub>2</sub> adsorption and isomerization studies

Zhang, Rui; Huang, Juhua; Meng, De-Xian; Ge, Fayuan; Wang, Lifei; Xu, Yong-Kai; Liu, Xing-Gui; Meng, Mei-Mei; Lu, Zhen-Zhong; Zheng, He‐Gen; Huang, Wei

doi:10.1039/d0dt00793e

Cited by 19 publications

(4 citation statements)

References 60 publications

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“…The IAST selectivities of CO 2 /N 2 for azolate-carboxylate MOFs and some well-known MOFs are tabulated in Table S5. It is worth noting that the selectivity value of FJU-27a was comparable to those of some reported MOFs, such as IITKGP-6 (42.8), 65 ZIF-78 (50), 66 IISERP-MOF27 (55), 67 Cu-TDPAT (57.8), 36 and YZ-6a (51.4), 68 but with a lower uptake ratio (Figure 2d and Table S5), which showed the potential prospect for FJU-27a toward selective and regenerative CO 2 capture from flue gas.…”

Section: Resultssupporting

confidence: 73%

Isoreticular Double Interpenetrating Copper–Pyrazolate–Carboxylate Frameworks for Efficient CO₂ Capture

Shi

et al. 2022

Crystal Growth & Design

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It is highly desired to develop a porous adsorbent for selective CO 2 capture from flue gas, which meets the goal of environmental protection and energy safety. Herein, three isoreticular Cu(II)−pyrazolate−carboxylate frameworks (FJU-26, FJU-27, and FJU-28) were constructed through regulation of the ligand size. Among them, FJU-27 was constructed using the ligands (H 2 NDI: 2,7-bis(3,5-dimethyl) dipyrazol-1,4,5,8-naphthalene tetracarboxydiimide and H 2 BDC: 1,4-dicarboxybenzene) with appropriate lengths, which gave multipoint intermolecular hydrogen-bonding interactions and resulted in a robust structure with suitable pore size and affinity toward CO 2 . As expected, FJU-27a exhibited a higher CO 2 uptake capacity (2.54 mmol g −1 ) under ambient conditions with an uptake ratio of 5.3 for CO 2 /N 2 gas systems, in contrast to 0.92 mmol g −1 and 1.9 for the flexible FJU-28a, while a collapse occurred in FJU-26a (the activated samples were named FJU-26a, FJU-27a, and FJU-28a, respectively). Moreover, the higher selectivity of CO 2 for FJU-27a was ascertained by configurational bias Monte Carlo molecular simulations. Meanwhile, dynamic breakthrough experiments of FJU-27a toward a CO 2 /N 2 mixture proved to be a potential candidate for the synthesis of a practical metal−organic framework for CO 2 capture.

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Section: Resultssupporting

confidence: 73%

Isoreticular Double Interpenetrating Copper–Pyrazolate–Carboxylate Frameworks for Efficient CO₂ Capture

Shi

et al. 2022

Crystal Growth & Design

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“…For an equimolar mixture of CO 2 /N 2 , the adsorption selectivity factors are S ads = 27.2 and 34.0 at 298 K and 273 K, respectively. In the case of CO 2 /N 2 = 15:85, which is typical of the composition of flue gas in coal power plants, the adsorption selectivity factors reach even greater values, S ads = 56.4 at 298 K and 73.6 at 273 K. Those are very high numbers, rivaling the best data reported in the literature for MOFs with no strong CO 2 adsorption centers [ 51 , 52 , 53 , 54 , 55 , 56 , 57 ]. As mentioned already, CO 2 molecules readily interact with unsaturated metal sites or amine groups, but an introduction of such strong adsorption centers into a MOF structure does not necessarily lead to the desired outcome.…”

Section: Resultsmentioning

confidence: 95%

Enhanced Adsorption Selectivity of Carbon Dioxide and Ethane on Porous Metal–Organic Framework Functionalized by a Sulfur-Rich Heterocycle

et al. 2022

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Porous metal–organic framework [Zn2(ttdc)2(bpy)] (1) based on thieno[3,2‑b]thiophenedicarboxylate (ttdc) was synthesized and characterized. The structure contains intersected zig-zag channels with an average aperture of 4 × 6 Å and a 49% (v/v) guest-accessible pore volume. Gas adsorption studies confirmed the microporous nature of 1 with a specific surface area (BET model) of 952 m2·g–1 and a pore volume of 0.37 cm3·g–1. Extensive CO2, N2, O2, CO, CH4, C2H2, C2H4 and C2H6 gas adsorption experiments at 273 K and 298 K were carried out, which revealed the great adsorption selectivity of C2H6 over CH4 (IAST selectivity factor 14.8 at 298 K). The sulfur-rich ligands and double framework interpenetration in 1 result in a dense decoration of the inner surface by thiophene heterocyclic moieties, which are known to be effective secondary adsorption sites for carbon dioxide. As a result, remarkable CO2 adsorption selectivities were obtained for CO2/CH4 (11.7) and CO2/N2 (27.2 for CO2:N2 = 1:1, 56.4 for CO2:N2 = 15:85 gas mixtures). The computational DFT calculations revealed the decisive role of the sulfur-containing heterocycle moieties in the adsorption of CO2 and C2H6. High CO2 adsorption selectivity values and a relatively low isosteric heat of CO2 adsorption (31.4 kJ·mol–1) make the porous material 1 a promising candidate for practical separation of biogas as well as for CO2 sequestration from flue gas or natural gas.

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“…Even though generally MOFs are characterized by the enhancement of CO 2 adsorption uptake via linker or metal functionalization, it has also been proved that the design of MOFs with altered linker length offers an improvement in the adsorption of CO 2 . [83][84][85][86] The competitive adsorption of water and its impact on the stability of MOFs have been a major concern for practical applications in CO 2 capture. Many MOFs have been demonstrated to undergo structural degradation because the framework presents stronger interactions with the water than the CO 2 due to its quadrupole moment.…”

Section: Reaction Chemistry and Engineering Reviewmentioning

confidence: 99%

Understanding the opportunities of metal–organic frameworks (MOFs) for CO₂capture and gas-phase CO₂conversion processes: a comprehensive overview

et al. 2021

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Three metal–organic framework isomers of different pore sizes for selective CO₂ adsorption and isomerization studies

Abstract: Three MOF isomers including framework-catenation and framework-topological isomers were synthesized for adsorbing carbon dioxide with high selectivity.

Cited by 19 publications

References 60 publications

Isoreticular Double Interpenetrating Copper–Pyrazolate–Carboxylate Frameworks for Efficient CO₂ Capture

Isoreticular Double Interpenetrating Copper–Pyrazolate–Carboxylate Frameworks for Efficient CO₂ Capture

Enhanced Adsorption Selectivity of Carbon Dioxide and Ethane on Porous Metal–Organic Framework Functionalized by a Sulfur-Rich Heterocycle

Understanding the opportunities of metal–organic frameworks (MOFs) for CO₂capture and gas-phase CO₂conversion processes: a comprehensive overview

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Three metal–organic framework isomers of different pore sizes for selective CO2 adsorption and isomerization studies

Abstract: Three MOF isomers including framework-catenation and framework-topological isomers were synthesized for adsorbing carbon dioxide with high selectivity.

Cited by 19 publications

References 60 publications

Isoreticular Double Interpenetrating Copper–Pyrazolate–Carboxylate Frameworks for Efficient CO2 Capture

Isoreticular Double Interpenetrating Copper–Pyrazolate–Carboxylate Frameworks for Efficient CO2 Capture

Enhanced Adsorption Selectivity of Carbon Dioxide and Ethane on Porous Metal–Organic Framework Functionalized by a Sulfur-Rich Heterocycle

Understanding the opportunities of metal–organic frameworks (MOFs) for CO2capture and gas-phase CO2conversion processes: a comprehensive overview

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Three metal–organic framework isomers of different pore sizes for selective CO₂ adsorption and isomerization studies

Isoreticular Double Interpenetrating Copper–Pyrazolate–Carboxylate Frameworks for Efficient CO₂ Capture

Isoreticular Double Interpenetrating Copper–Pyrazolate–Carboxylate Frameworks for Efficient CO₂ Capture

Understanding the opportunities of metal–organic frameworks (MOFs) for CO₂capture and gas-phase CO₂conversion processes: a comprehensive overview