Highly Selective Ethylene/Ethane Separation in MOF Composites through Pore Contraction and Particle Size Enlargement Strategy.

The discrimination of ethylene (CH) and ethane (CH) by the precise regulation of porous materials is important and challenging. In this work, the quasi-exclusion of CH from CH is realized through a facile polymer modification and shaping method of metal-organic framework ZnAtzPO (Atz = 3-amino-1,2,4-triazole). The polymer (carboxymethyl cellulose, CMC) modification and shaping of ZnAtzPO@CMC result in pore contraction and particle size enlargement, which impedes the diffusion of larger CH molecules and improves the kinetic separation of CH/CH.

UiO-66/PIM-1 Mixed-Matrix Membrane for Hexane Isomer Separation.

The separation of high-octane dibranched alkanes from naphtha is critical in the refining of gasoline. To date, research on the membrane-based separation of alkane isomers has been limited, with a particular paucity of investigations into mixed-matrix membranes. Herein, the continuous and dense UiO-66/PIM-1 mixed-matrix membrane, which was prepared through precise control of the interfacial structure, was first applied to the differentiation of C alkane isomers.

Data-Driven Discovery of Gas-Selective Organic Linkers in Metal-Organic Frameworks for the Separation of Ethylene and Ethane.

Metal-organic frameworks (MOFs) are potential candidates for gas-selective adsorbents for the separation of an ethylene/ethane mixture. To accelerate material discovery, high-throughput computational screening is a viable solution. However, classical force fields, which were widely employed in recent studies of MOF adsorbents, have been criticized for their failure to cover complicated interactions such as those involving π electrons.

Graph Transformer with Convolution Parallel Networks for Predicting Single and Binary Component Adsorption Performance of Metal-Organic Frameworks.

Metal-organic frameworks (MOFs) are considered one of the most important materials for carbon capture and storage (CCS) due to the advantages of porosity, multifunction, diverse structure, and controllable chemical composition. With the continuous development of artificial intelligence (AI) technology, more and more machine learning models are used to identify MOFs with high performance within a massive search space. However, current works have yet to form a model that uses graph-structured data only, which can predict the adsorption properties of single and binary components.

Exquisitely Constructing a Robust MOF with Dual Pore Sizes for Efficient CO Capture.

Developing metal-organic framework (MOF) adsorbents with excellent performance and robust stability is of critical importance to reduce CO emissions yet challenging. Herein, a robust ultra-microporous MOF, Cu(bpfb)(bdc), with mixed ligands of N, N'-(1,4-phenylene)diisonicotinamide (bpfb), and 1,4-dicarboxybenzene (bdc) was delicately constructed. Structurally, this material possesses double-interpenetrated frameworks formed by two staggered, independent frameworks, resulting in two types of narrow ultra-micropores of 3.

A Robust Metal-Organic Framework with Scalable Synthesis and Optimal Adsorption and Desorption for Energy-Efficient Ethylene Purification.

Adsorptive separation is an energy-efficient alternative, but its advancement has been hindered by the challenge of industrially potential adsorbents development. Herein, a novel ultra-microporous metal-organic framework ZU-901 is designed that satisfies the basic criteria raised by ethylene/ethane (C H /C H ) pressure swing adsorption (PSA). ZU-901 exhibits an "S" shaped C H curve with high sorbent selection parameter (65) and could be mildly regenerated.

Upgrading Octane Number of Naphtha by a Robust and Easily Attainable Metal-Organic Framework through Selective Molecular Sieving of Alkane Isomers.

The separation of alkanes, particularly monobranched and dibranched isomers, is of paramount importance in the petrochemical industry for optimizing the feedstock of ethylene production as well as for upgrading the octane number of gasoline. Here, we report the full separation of linear/monobranched alkanes from their dibranched isomers by a robust and easily scalable metal-organic framework material, Co (HCOO) . The compound completely excludes dibranched alkanes but adsorbs their linear and monobranched isomers, as evidenced by single-component and multicomponent adsorption measurements.

Splitting Mono- and Dibranched Alkane Isomers by a Robust Aluminum-Based Metal-Organic Framework Material with Optimal Pore Dimensions.

The separation of alkanes with different degrees of branching, particularly mono- and dibranched isomers, represents a challenging yet important industrial process for the production of premium gasoline blending components with high octane number. We report here the separation of linear/monobranched and dibranched alkanes through complete molecular sieving by a robust aluminum-based MOF material, Al-bttotb (Hbttotb = 4,4',4″-(benzene-1,3,5-triyltris(oxy))tribenzoicacid). Single- and multicomponent adsorption experiments reveal that the material adsorbs linear and monobranched alkanes, but fully excludes their dibranched isomers.

Location matters: cooperativity of catalytic partners in porous organic polymers for enhanced CO transformation.

Herein, we show that by following molecular engineering of the inter-site distance between the two functionalities in porous organic materials, it is possible to enable them to work in a concerted manner. Specifically, the activity can be amplified by the placement of the hydroxyl group in the meta position of the phosphonium salts in the representative cycloaddition of epoxides and CO.

Chromophore-Based Luminescent Metal-Organic Frameworks as Lighting Phosphors.

Energy-efficient solid-state-lighting (SSL) technologies are rapidly developing, but the lack of stable, high-performance rare-earth free phosphors may impede the growth of the SSL market. One possible alternative is organic phosphor materials, but these can suffer from lower quantum yields and thermal instability compared to rare-earth phosphors. However, if luminescent organic chromophores can be built into a rigid metal-organic framework, their quantum yields and thermal stability can be greatly improved.

Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework.

The efficiency of physisorption-based separation of gas-mixtures depends on the selectivity of adsorbent which is directly linked to size, shape, polarizability and other physical properties of adsorbed molecules. Commensurate adsorption is an interesting and important adsorption phenomenon, where the adsorbed amount, location, and orientation of an adsorbate are commensurate with the crystal symmetry of the adsorbent. Understanding this phenomenon is important and beneficial as it can provide vital information about adsorbate-adsorbent interaction and adsorption-desorption mechanism.

The moisture-triggered controlled release of a natural food preservative from a microporous metal-organic framework.

In this work we demonstrate that allyl isothiocyanate (AITC), a common food flavoring agent and food preservative, can be effectively captured by and released in a controlled manner from a microporous metal-organic framework (MOF). The extent of AITC-MOF interactions is quantitatively measured by orbital overlap population calculations. Controlled release experiments show that loaded AITC can be released by applying higher relative humidity.

Effective Detection of Mycotoxins by a Highly Luminescent Metal-Organic Framework.

We designed and synthesized a new luminescent metal-organic framework (LMOF). LMOF-241 is highly porous and emits strong blue light with high efficiency. We demonstrate for the first time that very fast and extremely sensitive optical detection can be achieved, making use of the fluorescence quenching of an LMOF material.

Influence of gas packing and orientation on FTIR activity for CO chemisorption to the Cu paddlewheel.

In situ Fourier-transform infrared (FTIR) spectroscopy is able to probe structural defects via site-specific adsorption of CO to the Cu-BTC (BTC = 1,3,5-benzenetricarboxylate) metal-organic framework (MOF). The temperature-programmed desorption (TPD) of CO chemisorbed to Cu-TDPAT (TDPAT = 2,4,6-tris(3,5-dicarboxylphenylamino)-1,3,5-triazine) is virtually identical to Cu-BTC, suggesting CO chemisorbs to the open metal site at the axial position of the copper paddlewheel that is the building unit of both MOFs. Yet, despite an increased gravimetric CO : Cu ratio, CO chemisorbed to Cu-TDPAT is FTIR inactive.

Evidence of Amine-CO2 Interactions in Two Pillared-Layer MOFs Probed by X-ray Crystallography.

Two pillared-layer metal-organic frameworks (MOFs; PMOF-55 and NH2 -PMOF-55) based on 1,2,4-triazole and terephthalic acid (bdc)/NH2 -bdc ligands were assembled and display framework stabilities, to a certain degree, in both acid/alkaline solutions and toward water. They exhibit high CO2 uptakes and selective CO2 /N2 adsorption capacities, with CO2 /N2 selectivity in the range of 24-27, as calculated by the ideal adsorbed solution theory method. More remarkably, the site and interactions between the host network and the CO2 molecules were investigated by single-crystal X-ray diffraction, which showed that the main interaction between the CO2 molecules and PMOF-55 is due to multipoint supramolecular interactions of C-H⋅⋅⋅O, C⋅⋅⋅O, and O⋅⋅⋅O.

Solution processable MOF yellow phosphor with exceptionally high quantum efficiency.

An important aspect in the research and development of white light-emitting diodes (WLEDs) is the discovery of highly efficient phosphors free of rare-earth (RE) elements. Herein we report the design and synthesis of a new type of RE-free, blue-excitable yellow phosphor, obtained by combining a strongly emissive molecular fluorophore with a bandgap modulating co-ligand, in a three-dimensional metal organic framework. [Zn6(btc)4(tppe)2(DMA)2] (btc = benzene-1,3,5-tricarboxylate, tppe = 1,1,2,2-tetrakis(4-(pyridin-4-yl)phenyl)ethene, DMA = dimethylacetamide) crystallizes in a new structure type and emits bright yellow light when excited by a blue light source.

From 1D chain to 3D network: a new family of inorganic-organic hybrid semiconductors MO3(L)(x) (M = Mo, W; L = organic linker) built on perovskite-like structure modules.

MO3 (M = Mo, W) or VI-VI binary compounds are important semiconducting oxides that show great promise for a variety of applications. In an effort to tune and enhance their properties in a systematic manner we have applied a designing strategy to deliberately introduce organic linker molecules in these perovskite-like crystal lattices. This approach has led to a wealth of new hybrid structures built on one-dimensional (1D) and two-dimensional (2D) VI-VI modules.

Design and synthesis of new 1D and 2D R-isophthalic acid-based coordination polymers (R = hydrogen or bromine).

Three new R-isophthalic acid-based (R = H or Br) coordination polymers have been designed and synthesized. By changing the N-containing ligand in the system, we are able to tune the dimensionality of coordination polymers from one-dimension (1D) to two-dimensions (2D) with the same basic building unit. Also, different metal ions can be incorporated into the same structures.

MOFs for CO2 capture and separation from flue gas mixtures: the effect of multifunctional sites on their adsorption capacity and selectivity.

Microporous metal-organic frameworks (MOFs) have attracted tremendous attention because of their versatile structures and tunable porosity that allow almost unlimited ways to improve their properties and optimize their functionality, making them very promising for a variety of important applications, especially in the adsorption and separation of small gases and hydrocarbons. Numerous studies have demonstrated that MOFs with multifunctional groups, such as open metal sites (OMSs) and Lewis basic sites (LBSs), interact strongly with carbon dioxide and are particularly effective in its capture and separation from binary mixtures of CO(2) and N(2). In this feature article, we briefly review the current state of MOF development in this area, with an emphasis on the effect of multifunctional groups on the selectivity and capacity of MOFs for the CO(2) capture from flue gas mixtures.

A multifunctional organic-inorganic hybrid structure based on Mn(III)-porphyrin and polyoxometalate as a highly effective dye scavenger and heterogenous catalyst.

A two-step synthesis strategy has led to a unique layered polyoxometalate-Mn(III)-metalloporphyrin-based hybrid material. The hybrid solid demonstrates remarkable capability for scavenging of dyes and for heterogeneous selective oxidation of alkylbenzenes with excellent product yields and 100% selectivity.

CO catalytic oxidation by a metal organic framework containing high density of reactive copper sites.

A new metal organic framework containing high density of active Cu sites demonstrates 100% oxidative conversion of CO to CO(2).

Enhancing gas adsorption and separation capacity through ligand functionalization of microporous metal-organic framework structures.

Hydroxyl- and amino- functionalized [Zn(BDC)(TED)(0.5)]·2DMF·0.2H(2)O leads to two new structures, [Zn(BDC-OH)(TED)(0.