Synthesis Of Metal-organic Frameworks Research Articles

The nature of structural defects in ZIF‐8 revealed with 1H and 31P MAS NMR and X‐ray absorption spectroscopy

The metal‐organic frameworks (MOFs) attract interest as potential catalysts whose catalytic properties are driven by defects. Several methods have been proposed for the defects‐inducing synthesis of MOFs. However, the active species formed on the defective sites remain elusive and uncharacterized, as the spectroscopic fingerprints of these species are hidden by the regular structure signals. In this work, we have performed the synthesis of ZIF‐8 MOF with defect‐inducing procedures using fully deuterated 2‐methylimidazolate ligands to enhance the defective sites' visibility. By combining 1H and 31P MAS NMR spectroscopy and X‐ray absorption spectroscopy, we have found evidence for the presence of different structural hydroxyl Zn–OH groups in the ZIF‐8 materials. It is demonstrated that the ZIF‐8 defect sites are represented by Zn–OH hydroxyl groups with the signals at 0.3 and –0.7 ppm in 1H MAS NMR spectrum. These species are of basic nature and may be responsible for the catalytic activity of the ZIF‐8 material.

Ligand extension of aluminum fumarate metal-organic framework in transferring higher water for adsorption desalination

This article presents the synthesis and characterization of a new microporous metal organic framework (MOF) for adsorption desalination for the first time. The new MOF, designated as “Al-t,t-Ma”, is an analogue of aluminum fumarate (Al-Fum) and is fabricated via ligand extension method. Firstly, the MOF is synthesized, and then characterized by XRD, FTIR spectroscopy, TEM, SEM, TGA and N2 adsorption techniques. Secondly, the water adsorption experiments on the pristine Al-Fum and Al-t,t-Ma are performed for a wide temperature (30 °C ≤ T ≤ 80°C) and pressure (0 < P/Ps ≤ 0.9) ranges. The water adsorption isotherms, kinetics, hydro-thermal stabilities as well as the isosteric heat of adsorption (Qst) are evaluated. Thirdly, based on the experimentally confirmed isotherms, kinetics and isosteric heats data, the adsorption assisted desalination (AD) system is modelled and simulated. Finally, the performances of AD system employing Al-Fum and Al-t,t-Ma MOFs are calculated in terms of the performance ratio (PR) and specific daily water production (SDWP) under various half cycle times (100 s ≤ tcycle ≤ 1000 s) and regeneration temperatures (55°C ≤ Tregen ≤ 80°C). As compared with the pristine Al-Fum, the pore volume of Al-t,t-Ma MOF is found 115 % higher. The proposed Al-t,t-Ma MOF possesses higher water transfer (+57.5 % more) with promising hydro-thermal stability. Employing Al-t,t-Ma MOF as porous adsorbent, the SDWP is achieved 28 m3 per tonne of MOFs per day at the regeneration temperature of 55°C. These results confirm that Al-t,t-Ma MOF is a competent candidate for adsorption desalination.

Anchoring Catalytic Metal Nodes within a Single-Crystalline Pyrazolate Metal-Organic Framework for Efficient Heterogeneous Catalysis.

The synthesis of single-crystalline and robust pyrazolate metal-organic frameworks (Pz-MOFs) capable of facilitating challenging organic transformations is fundamentally significant in catalysis. Here we demonstrate a metal-node-based catalytic site anchoring strategy by synthesizing a single-crystalline and robust Pz-MOF (PCN-1004). PCN-1004 features one-dimensional (1D) copper-Pz chains interconnected by well-organized ligands, forming a porous three-dimensional (3D) network with two types of 1D open channels. Notably, PCN-1004 displays exceptional stability in aqueous solutions across a broad pH range (1 to 14), attributed to the robust copper-Pz coordination bonds. Significantly, PCN-1004 functions as an outstanding catalyst in cross dehydrogenative coupling reactions for constructing C-O/C-S bonds, even in the absence of directing groups, achieving yields of up to ~99%, with long cycle lives and high substrate compatibility. PCN-1004 outperforms all previously reported porphyrin-based homogeneous and heterogeneous catalysts. Control experiments and computations elucidate the pivotal catalytic role of the copper-Pz chains and reveal a free radical pathway for the reaction. This work not only demonstrates the successful implementation of a metal-node-based catalytic site anchoring strategy for the efficient catalysis of challenging organic transformations but also highlights the synergistic effect of a robust framework, 1D open channels, and active sites in enhancing catalytic efficiency within MOFs.

Dual-State Red-Emitting Zinc-Based MOF Accompanied by Dual-Mode and Dual-State Detection: Color Tonality Visual Mode for the Detection of Tetracycline.

Red-emitting metal-organic frameworks (MOFs) are still mostly based on the use of lanthanides or functionalization with red fluorophores. However, production of transition-metal-based MOFs with red-emitting is scarce. This work reports on the synthesis of a novel dual-state red-emitting Zn-based MOF (denoted as UoZ-7) with the capability to detect target molecules in dual state, in solution, and as solid on paper. UoZ-7 gives strong red emission when excited in the solution and in the solid state with 365 nm ultraviolet (UV) lamp irradiation. Coordination-induced emission is the mechanism for the red emission enhancement in the MOF as a restriction of intramolecular rotation occurred to the ligand within the framework structure. UoZ-7 was successfully used for tetracycline (TC) using dual-mode detection, fluorescence-based ratiometry, and color tonality, in the dual state, in solution, and on the paper. TC molecules adsorb on the red-emitting UoZ-7 surface, and a yellow-greenish color emerges due to aggregation-induced emission between TC and UoZ-7. Concurrently, the inner filter effect diminishes the red emission of UoZ-7. The dual-mode or dual-state detection platform provides a simple and reliable fast method for the detection of TC on-site in various environmental and biomedical applications. Moreover, red-emitting UoZ-7 will have further luminescence-based biomedical applications.

Green synthesis of Cu-based metal organic framework for electrochemical CO2 conversion into formic acid

Metal-organic frameworks (MOFs) show promising amendments for the remediation of CO2. As the literature reports considerable progress in the electrochemical reduction of CO2, this work focuses on facile green synthesis of metal-organic framework and yields formic acid. The green synthesis MOF involved the use of an aqueous water-based solvent for synthesis, then compared with the conventional hydrothermal method of synthesis using N, N-Dimethylformamide (DMF), and was studied for electrochemical reduction of CO2. Green synthesis of copper benzene tricarboxylic acid (Cu BTC) and conventional synthesis of Cu BTC were characterized by XRD (X-ray diffraction), SEM (Scanning electron microscopy), TEM (Transition electron microscopy), FT-IR (Fourier transform infrared), and XPS (X-ray photoelectron spectroscopy). The performance of the green synthesis of Cu BTC resulted in the achievement of the highest FE (Faradic efficiency) of formic acid of 88 %, at - 0.6 V (vs. Reversible hydrogen electrode (RHE)) in 0.5 M Potassium chloride (KCl) electrolyte.

Folic acid-assisted in situ solvothermal synthesis of Ni-MOF/MXene composite for high-performance supercapacitors

The synthesis of Ni-based metal-organic framework (MOF) and Ti3C2Tx MXene nanosheets is achieved via a straightforward solvothermal method, resulting in the formation of Ni-MOF/MXene composite material. This study introduces an innovative strategy that employs the biomolecule folic acid for the solvothermal synthesis of Ni-MOF/MXene nanosheets, intending to achieve high-performance supercapacitors. This approach effectively prevents the oxidation and restacking of MXene nanosheets and ensures the uniform dispersion of Ni-MOF on the surface of MXene nanosheets. The Ni-MOF/MXene composite exhibits an outstanding specific capacitance of 716.19 F/g at 1 A/g current density. Furthermore, an asymmetric supercapacitor device was assembled using activated carbon and Ni-MOF/MXene composite as negative and positive electrodes, respectively. The asymmetric device exhibited an impressive energy density of 23.28 Wh/kg at a power density of 2.841 KW/kg, along with good cyclic stability. These results establish an excellent potential of the Ni-MOF/MXene composite material as a candidate for next-generation energy devices.

Nanoscale fluconazole-constructed metal-organic frameworks with smart drug release for eradication of Candida biofilms in vulvovaginitis infection

Fungal infections associated with oral, gynecological, and skin ailments pose significant clinical challenges. The presence of biofilms often hampers the efficacy of conventional antifungal drugs owing to the complex microenvironment they create. In this study, the widely used antifungal medication fluconazole is utilized as a foundational component to be incorporated into zinc 2-methylimidazolate frameworks, resulting in the synthesis of nanoscale fluconazole-constructed metal-organic frameworks (F-ZIF). The F-ZIF is constructed through coordination interactions between zinc and fluconazole, retaining the structure and pH-responsiveness of the zinc 2-methylimidazolate framework. The pH-responsiveness F-ZIF makes sure the fluconazole can be released in acidic biofilm, which prevents the undesired release in healthy tissue, resulting in good biocompatibility both in vitro and in vivo. The in vitro studies demonstrated that F-ZIF exhibits enhanced efficacy in eradicating fungal pathogens in their biofilm growth state compared with the free fluconazole. Furthermore, in vivo experiments reveal the better effectiveness of F-ZIF in treating Candida albicans-induced vulvovaginal candidiasis, and less infection-related inflammation was observed. Hence, the one-port synthetic F-ZIF presents a promising solution for addressing fungal biofilm-related infections.

Tailoring properties of PET-derived Sn-MOFs through efficiency structure defects using trifluoroacetic acid (TFA) with water-based facile and green synthesis route

BackgroundThe synthesis of Metal-Organic Frameworks (MOFs) is increasingly focused on achieving green and cost-efficient methods while producing high-quality products with abundant active sites. This approach is attracting significant attention from researchers. One promising method, modulated synthesis, stands out for its ability to induce structural defects in MOFs and enhance their active sites. However, the challenges in identifying the optimal conditions for critical factors, particularly the quantitative correlation between the modulator and crucial independent variables influencing MOFs performance, underscore the importance of research work in this field. MethodsThis study synthesized tin-based MOFs (Sn-MOFs) utilizing a linker derived from recycled polyethylene terephthalate (PET) waste. A hydrothermal approach was employed, utilizing water-like solvents and trifluoroacetic acid (TFA) as a modulator to effectively induce structural defects. Response Surface Methodology (RSM) was applied to evaluate the effects and interactions of temperature, reaction time, and TFA concentration on optimizing yield and crystalline index (CI) while simultaneously reducing the residual percentage of 1,4-benzene dicarboxylate (H2BDC) in the Sn-MOFs (DI). Significant findingsThe research revealed that temperature, reaction time, and TFA concentration significantly influenced the performance of Sn-MOFs, highlighting the considerable potential of TFA in creating active sites and enhancing the surface area and pore volume of Sn-MOFs through defect engineering. Optimal synthesis conditions for Sn-MOFs included a temperature of 148℃, a reaction time of 24 h, and a molar ratio of H2BDC/TFA of 1.7, yielding 98.51 ± 1.47 % for yield and 80.21 ± 1.32 % for CI, with no detectable residual H2BDC. The resulting Sn-MOF-150 exhibited characteristics such as high thermal and chemical stability, abundant function groups, and a unique hierarchical nanostructure composed of spherical nanoparticles. These findings further emphasize the efficacy of the synthesis approach for Sn-MOF through critical parameter optimization and defect engineering techniques.

Synthesis of Eco-friendly Zn-Ni bimetallic MOFs with biodegradable glycolic acid ligands for enhanced supercapacitor performance and hydrogen evolution reaction

Electrochemical technologies like supercapacitors and water-splitting electrolysis are gaining traction due to their impressive efficiency in both energy storage and generation. A hydrothermal technique was employed to synthesize a metal–organic framework (MOF) containing zinc and nickel. Glycolic acid (GA), a naturally occurring biodegradable ligand, was utilized to explore its potential for incorporation into the MOF heterostructure. The ZnNi-MOF (GA) composites showed a notable specific capacity of 1648 C g−1 (2060 F/g) under a current density of 1.0 A g−1 at 70 °C. The study investigated a supercapacitor system design where a combination of polyaniline-doped activated carbon was used for the negative electrode and a zinc-nickel metal–organic framework (GA) was used for the positive electrode. The synthesized ZnNi-MOF (GA)//AC energy storage device demonstrated a specific capacity of 110 C g−1 (55 F g−1) at a higher current density of 2.0 A g−1. The recyclability and stability of device (ZnNi-MOF (GA)//AC) were evaluated using 10000 charge–discharge cycles, yielding an 86% capacity retention. The ZnNi-MOF (GA) composite displayed outstanding catalytic ability in the hydrogen evolution reaction (HER) in comparison to other tested materials, achieving the lowest Tafel slope of 42.79 mV/dec. The findings of our research suggest that ZnNi-MOF (GA) exhibits desirable characteristics that make it a promising material for electrodes in the applications of supercapattery and HER.

Potentiality of eggshell waste in synthesis of functional metal-organic frameworks for fuel purification

Nitrogen containing compounds in the liquid fuel are well-known to cause serious corrosive action on the engines and plugging of filters with the formation of gummy compounds. Hence, the removal of nitrogenated compounds from the liquid fuel is highly demanded. The current study focused on the efficient removal of indole and quinoline (as nitrogenated compounds) by Ca based metal organic framework. Formerly, Ca based metal organic framework was synthesized using eggshell wastes as source of Ca by Solvothermal [Ca-BTC (s)] and Microwave [Ca-BTC (m)] techniques. Flower and shell plates like crystals were observed under microscope for the synthesized Ca-BTC (s) and Ca-BTC (m), respectively. Purification of liquid fuel from indole and quinoline by the obtained Ca-BTC was systematically investigated. The adsorption of nitrogenated compounds followed the second order reaction and Langmuir isotherm. Microwave technique showed to be more preferable rather than solvothermal technique, for preparation of Ca-BTC with significantly higher adsorption capacity, whereas, and the affinity was higher towards quinoline compared to indole. Meanwhile, for Ca-BTC (m), the estimated maximum adsorption capacity of indole and quinoline was 490.7 mg/g and 583.4 mg/g, respectively. After 4 regeneration cycles, the adsorption capacity Ca-BTC (m) was lowered by 29 % for indole and 24 % for quinoline. The obtained results confirmed the successful using of eggshell wastes in preparation of Ca-BTC with remarkable efficiency in the liquid fuel purification with quite good recyclability.

Evaluating the effect of different ligands on the supercapacitance and hydrogen evolution reaction studies of Zn-Co MOF

Metal-Organic Frameworks (MOFs) have recently attracted a lot of interest because of their potential uses in energy storage and catalysis. In this study, we investigate the impact of various ligands on the electrochemical performance of Zn-Co MOFs for both energy storage and hydrogen evolution reaction (HER) studies. Specifically, Zn-Co MOFs are synthesized using different ligands, and their structural and electrochemical properties are characterized by a range of analytical techniques. 2,5-dihydroxybenzoic acid (DBA) and benzene-1,2,4,5-tetracarboxylic acid (BTC) are employed due to their distinct structural features and potential effects on MOF performance. Subsequently, electrochemical studies are conducted to assess the supercapattery performance and HER activity of these MOFs. The specific capacitance and overpotential value at 10 mA/cm2 of Zn-Co/DBA MOF is observed to be 1775.3 F/g and 186 mV, whereas that of Zn-Co/BTC MOF is found to be 136.6 F/g and 279 mV. The MOF synthesis using DBA as a ligand is more effective for energy-related applications. This study aims to report a multifunctional MOF composite for energy and environmental applications with better efficiency than other reported systems. Our findings provide insights into how the choice of ligand influences the structural properties and electrochemical behavior of Zn-Co MOFs, shedding light on the potential of these MOFs as versatile materials for energy storage and HER applications.

Sonochemical Assisted Synthesis of Cr-PTC Metal Organic Framework, ZnO, and Fe3O4 Composite and Their Photocatalytic Activity in Methylene Blue Degradation

Methylene blue pollutants can be treated by photocatalytic methods using metal oxide-based semiconductor materials and metal organic framework (MOF). These two materials are often coupled into a composite to improve their physicochemical properties and catalytic activity. This research focuses on the synthesis of composites based on Cr-PTC MOF, ZnO, and Fe3O4 by the sonochemical method. The obtained composites were characterized and tested for catalytic activity in methylene blue pollutant degradation in an aqueous system under acidic conditions (pH = 5). Our investigation shows that the Cr-PTC@Fe3O4 composite possesses the lowest band gap energy of 1.86 eV and achieves the highest photocatalytic activity in methylene blue degradation at solution pH = 5, with a percent degradation of 84.36%. The sonochemical incorporation of Fe3O4 and Cr-PTC MOF is able to fabricate materials in a short time with better photocatalytic activity in degrading methylene blue than the single materials. Copyright © 2024 by Authors, Published by BCREC Publishing Group. This is an open access article under the CC BY-SA License (https://creativecommons.org/licenses/by-sa/4.0).

Rise of Metal-Organic Frameworks: From Synthesis to E-Skin and Artificial Intelligence.

Metal-organic frameworks (MOFs) have attained broad research attention in the areas of sensors, resistive memories, and optoelectronic synapses on the merits of their intriguing physical and chemical properties. In this review, recent progress on the synthesis of MOFs and their electronic applications is introduced and discussed. Initially, the crystal structures and properties of MOFs encompassing optical, electrical, and chemical properties are discussed in brief. Subsequently, advanced synthesis methods for MOFs are introduced, categorized into hydrothermal approach, microwave synthesis, mechanochemical synthesis, and electrochemical deposition. After that, the various roles of MOFs in widespread applications, including sensing, information storage, optoelectronic synapses, machine learning, and artificial intelligence, are discussed, highlighting their versatility and the innovative solutions they provide to long-standing challenges. Finally, an outlook on remaining challenges and a future perspective for MOFs are proposed.

Synthesis and characterization of nickel-based MOFs: Enhancing photocatalysis and targeted cancer drug delivery

Metal–organic frameworks (MOFs) are intricate molecular solids formed by connecting organic ligands with metal or metal–cluster binding sites. They have exceptional characteristics such as expansive surface area, adaptability, and meticulously structured porosity, rendering them valuable in various applications including photocatalytic degradation and drug delivery systems. In this investigation, a benign Ni-based MOF was synthesized using benzene 1,4dicarboxylic acid as a linker and dimethyl sulfoxide as a solvent through the hydrothermal approach within a Teflon autoclave. The synthesized MOFs were precisely characterized using techniques such as X-ray diffraction, scanning electron microscope with energy-dispersive X-ray analysis, Fourier-transform infrared (FTIR) spectroscopy, thermogravimetric analysis, and N2-sorption measurements. The photocatalytic efficiency of the Ni-based MOF was explored against Congo red under visible light exposure, with the proposed mechanism involving electron transfer from photoexcited organic ligands to metallic clusters, resulting in a degradation efficiency of 98.68 % after 145 min. Furthermore, the Ni-based MOFs, when loaded with the anticancer drug cisplatin, displayed notable capabilities in drug delivery against the human breast cancer cell line MDA-MB-231, leading to a 35.26 % reduction in cell viability. Cytotoxicity assessments using the MTT assay revealed that the nano-carriers hindered cell proliferation with an IC50 value of 46.84 μg/mL.

Computational and Machine Learning Methods for CO2 Capture Using Metal-Organic Frameworks.

Machine learning (ML) using data sets of atomic and molecular force fields (FFs) has made significant progress and provided benefits in the fields of chemistry and material science. This work examines the interactions between chemistry and materials computational science at the atomic and molecular scales for metal-organic framework (MOF) adsorbent development toward carbon dioxide (CO2) capture. Herein, a connection will be drawn between atomic forces predicted by ML algorithms and the structures of MOFs for CO2 adsorption. Our study also takes into account the successes of atomic computational screening in the field of materials science, especially quantum ML, and its relationship to ML algorithms that clarify advancements in the area of CO2 adsorption by MOFs. Additionally, we reviewed the processes for supplying data to ML algorithms for algorithm training, including text mining from scientific articles, and MOF's formula processing linked to the chemical properties of MOFs. To create ML algorithms for future research, we recommend that the digitization of scientific records can help efficiently synthesize advanced MOFs. Finally, a future vision for developing pioneer MOF synthesis routes for CO2 capture is presented in this review article.

Synthesis of NiZn-based paddle-wheel metal-organic framework and its use as a catalytic precursor for ethylene dimerization

A bimetallic pillared-layered MOF based on Ni and Zn with improved catalytic activity was synthesized and applied in the ethylene oligomerization reaction. According to the XANES spectra, the MOF possesses Ni in the 2+ oxidation state, a well-known active catalytic precursor in oligomerization systems. In addition, Ni and Zn oxide or metallic species were not identified, indicating the absence of impurity phases. µ-XRF and SEM-EDS techniques showed the homogeneous distribution of Ni and Zn species across the SBUs of the bimetallic MOF. Ni/Zn-MOF was applied in the ethylene oligomerization reaction using EASC as the co-catalyst, and the results were compared to its monometallic counterpart Ni-MOF. The bimetallic material Ni/Zn-MOF obtained a TOF corresponding to 135 ×103 h−1, which accounts for a 60 % increase in the catalytic activity achieved by Ni-MOF (85 ×103 h−1) under 15 bar of ethylene in a Parr reactor. Moreover, the results obtained in this work are remarkable compared to literature reports for Ni-based MOFs, demonstrating that the co-catalyst employed plays an important role in the catalytic activity. However, Ni/Zn-MOF showed a lower selectivity to α-C4 oligomers (36 %) against 58 % obtained by Ni-MOF. According to the reuse tests conducted, the bimetallic MOF can be reused for up to two reactions (under 5 bar ethylene in a glass reactor), although presenting a considerable loss in activity due to the formation of metallic Ni.

Synthesis of UiO-67 Metal-organic Frameworks (MOFs) and their Application as Antibacterial and Anticancer Materials

This study involved the synthesis of the UiO-67 metal-organic framework; UiO-67 is a well-known type of MOF obtained by coordinating the Zr6O4(OH)4 metal unit with the 4,42-biphenyldicarboxylate organic linker, using the hydrothermal technique. The novelty of the current work is to synthesize UiO-67 MOFs, and their application as biological agents for antibacterial and cancer cells. Subsequently, the composite material UiO-67 was subjected to a comprehensive characterization process involving Fourier-transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), thermal gravimetric analyses (TGA) and surface area analysis, and the results showed the successful synthesis of the UiO-67 MOFs, with a high specific surface area of 1415 m2/g. The­­­ synthesized UiO-67 for its antibacterial properties tested against five pathogenic bacterial strains, which include three gram-positive and methicillin-resistant pairs including MRSA, S. aureus and Enterococcus faecalis, and Two gram-negative bacteria E. colli and S. typhimurium using the agar well diffusion method. These findings have shown enhanced, strong antibacterial activity against all the five used gram-positive and gram-negative bacterial strains. Furthermore, the anticancer efficacy of UiO-67 was evaluated on two distinct types of cancer cells: We are using MCF-7 (human breast cancer cell line) and HepG2 (human liver cancer cells). The experiments prove that UiO-67 has the potential of cytotoxicity against both Glioblastoma and H460 cancer lines with the ability to inhibit apoptosis at the same time.

Cu-based metal-organic framework with dual open metal sites for efficient separation of CO2 from flue gas

Excessive carbon dioxide (CO2) emissions from flue gases intensify the greenhouse effect. Exploring porous adsorbents with high CO2/N2 selectivity is of great significance to reducing the CO2 content in flue gases. Herein, we report a novel PtS-type metal-organic framework (MOFs), termed ZSTU-21, with narrow pore size and excellent CO2/N2 separation performance with dual open copper sites. At 298 K, ZSTU-21 exhibits a CO2 uptake capacity of 62 cm3 g−1 and a high selectivity of 105 for CO2/N2 (CO2/N2 = 15/85, v/v). Multicomponent adsorption breakthrough experiments further verified the superior performance of ZSTU-21 MOF in CO2/N2 separation. Moreover, the synthesis of ZSTU-21 MOF can be carried out under mild experimental conditions at room temperature, making the process simple and cost-effective, thus laying a solid foundation for its widespread application in CO2/N2 separation.

Synthesis of nickel-based metal organic framework using simplified solvothermal method

Synthesis of nickel-based metal organic framework using simplified solvothermal method

Zinc-cluster-based MOF with super selective separation adsorption catalyzes direct chemical conversion of CO2 from quasi-polluted air

The CO2 in the atmosphere has a serious impact on the human living environment. Direct utilization of the discharged CO2 to produce useful chemicals is challenging due to the practical presence of mixed compositions and low concentrations for CO2. Metal-organic frameworks (MOFs) with high internal surface areas, porosity and open metal site potentially possess superior adsorption separation capacity for CO2 gas, and on this basis, it can be used as a catalyst to achieve efficient chemical conversion of CO2. We demonstrate the synthesis and characterization of MOF ([Zn4O(ntba)2]n, MOF 1, H3ntba=4,4',4''-nitrilotribenzoic acid) with excellent selective adsorption properties from quasi- polluted air (O2, N2, CO2, CH4) and as heterogeneous catalysts for direct efficient CO2 chemical conversion. Detailed structural analysis reveals show that zinc ions behave multiple open metal sites and two coordination modes in the polyhedral zinc clusters building unit forming a 3D porous network by polyhedral zinc clusters building unit. Thanks to its structural features, at the 273 K and 100kPa, due to the ideal specific surface area and porosity, MOF 1 have ideal adsorption-separation performance for CO2, its values of adsorption and separation ratio are 75.7 cm3g−1, 373(CO2/N2), 79(CO2/O2), 13(CO2/CH4), respectively. The cycloaddition catalytic reaction investigations show that MOF 1 can be employed as a highly efficient catalyst for converting CO2 with a yield of 78 %. The result of this experiment offers the potential to directly utilize low-concentration and mixed CO2 while avoiding the economic and environmental costs of obtaining purified CO2 feeds tocks.