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In this work, we use a Bayesian optimization (BO) algorithm to sample the space of covalent organic framework (COF) components aimed at the design of COFs with a high hole conductivity. COFs are crystalline, often porous coordination polymers, where organic molecular units—called building blocks (BBs)—are connected by covalent bonds. Even though we limit ourselves here to a space of three-fold symmetric BBs forming two-dimensional COF sheets, their design space is still much too large to be sampled by traditional means through evaluating the properties of each element in this space from first principles. In order to ensure valid BBs, we use a molecular generation algorithm that, by construction, leads to rigid three-fold symmetric molecules. The BO approach then trains two distinct surrogate models for two conductivity properties, level alignment vs a reference electrode and reorganization free energy, which are combined in a fitness function as the objective that evaluates BBs' conductivities. These continuously improving surrogates allow the prediction of a material's properties at a low computational cost. It thus allows us to select promising candidates which, together with candidates that are very different from the molecules already sampled, form the updated training sets of the surrogate models. In the course of 20 such training steps, we find a number of promising candidates, some being only variations on already known motifs and others being completely novel. Finally, we subject the six best such candidates to a computational reverse synthesis analysis to gauge their real-world synthesizability. [ABSTRACT FROM AUTHOR]

The efficient and stable electroluminescence of quantum dots (QDs) is of great importance in their applications in new display technologies. The short service life of blue QDs, however, hinders their development and commercialization. Different mechanisms have been proposed for the destabilization of QDs in electroluminescent processes. Based on real-time time-dependent density functional theory studies on the QD models covered by Z-type ligands (XAc2, X = Cd, Zn, Mg), the structural evolution is simulated to reveal the mechanism of the reduction reactions induced by electron injection. Our simulations reproduce the experimental observations that the reduction reactions occur at the QD–ligand interface, and the reduced Cd atom is almost in a zero valence state. However, different sites are predicted for the reactions in which the surface metal atom of the QD instead of the metal atom in the ligands is reduced. As a result, one of the arms of the chelate ligand leaves the QD, which tends to cause damage to its electroluminescent performance. Our findings contribute to a mechanistic understanding of the reduction reactions that occurred at the QD–ligand interface. [ABSTRACT FROM AUTHOR]

The sluggish oxygen evolution reaction (OER) in overall electrocatalytic water splitting poses a significant challenge in hydrogen production. A series of transition metal phosphides are emerging as promising electrocatalysts, effectively modulating the charge distribution of surrounding atoms for OER. In this study, a highly efficient OER electrocatalyst (CoP-CNR-CNT) was successfully synthesized through the pyrolysis and phosphatization of a Co-doped In-based coordination polymer, specifically InOF-25. This process resulted in evenly dispersed CoP nanoparticles encapsulated in coordination polymer-derived carbon nanoribbons. The synthesized CoP-CNR-CNT demonstrated a competitive OER activity with a smaller overpotential (η10) of 295.7 mV at 10 mA cm-2 and a satisfactory long-term stability compared to the state-of-the-art RuO2 (η10 = 353.7 mV). The high OER activity and stability can be attributed to the high conductivity of the carbon network, the abundance of CoP particles, and the intricate nanostructure of nanoribbons/nanotubes. This work provides valuable insights into the rational design and facile preparation of efficient non-precious metal-based OER electrocatalysts from inorganic–organic coordination polymers, with potential applications in various energy conversion and storage systems. [ABSTRACT FROM AUTHOR]

Cd-doped ZrO2 catalyst has been found to have high selectivity and activity for CO2 hydrogenation to methanol. In this work, density functional theory calculations were carried out to investigate the microscopic mechanism of the reaction. The results show that Cd doping effectively promotes the generation of oxygen vacancies, which significantly activate the CO2 with stable adsorption configurations. Compared with CO2, gaseous H2 adsorption is more difficult, and it is mainly dissociated and adsorbed on the surface as [HCd–HO]* or [HZr–HO]* compact ion pairs, with [HCd–HO]* having the lower energy barrier. The reaction pathways of CO2 to methanol has been investigated, revealing the formate path as the dominated pathway via HCOO* to H2COO* and to H3CO*. The hydrogen anions, HCd* and HZr*, significantly reduce the energy barriers of the reaction. [ABSTRACT FROM AUTHOR]

Cd-doped ZrO2 catalyst has been found to have high selectivity and activity for CO2 hydrogenation to methanol. In this work, density functional theory calculations were carried out to investigate the microscopic mechanism of the reaction. The results show that Cd doping effectively promotes the generation of oxygen vacancies, which significantly activate the CO2 with stable adsorption configurations. Compared with CO2, gaseous H2 adsorption is more difficult, and it is mainly dissociated and adsorbed on the surface as [HCd–HO]* or [HZr–HO]* compact ion pairs, with [HCd–HO]* having the lower energy barrier. The reaction pathways of CO2 to methanol has been investigated, revealing the formate path as the dominated pathway via HCOO* to H2COO* and to H3CO*. The hydrogen anions, HCd* and HZr*, significantly reduce the energy barriers of the reaction. [ABSTRACT FROM AUTHOR]

Selective activation of the C–H bond of aromatic hydrocarbons is significant in synthetic chemistry. However, achieving oriented C–H activation remains challenging due to the poor selectivity of aromatic C–H bonds. Herein, we successfully constructed alternately arranged Au–C4 and Au–O4 organometallic coordination networks through selective aromatic C–H bond activation on Au(111) substrate. The stepwise reaction process of the 5, 12-dibromopyrene 3,4,9, 10-tetracarboxylic dianhydride precursor is monitored by high-resolution scanning tunneling microscopy. Our results show that the gold atoms in C–Au–C organometallic chains play a crucial role in promoting the selective ortho C–H bonds activation and forming Au–C4 coordination structure, which is further demonstrated by a comparative experiment of PTCDA precursor on Au(111). Furthermore, our experiment of 2Br-PTCDA precursor on Cu(111) substrate confirms that copper atoms in C–Cu–C organometallic chains can also assist the formation of Cu–C4 coordination structure. Our results reveal the vital effect of organometallic coordination on selective C–H bond activation of reactants, which holds promising implications for controllable on-surface synthesis. [ABSTRACT FROM AUTHOR]

The document is a contents list for the journal "Dalton Transactions: An International Journal of Inorganic Chemistry," published by The Royal Society of Chemistry. It includes various articles on topics such as metal-organic frameworks, luminescence, optical limiting applications, and catalytic studies. The journal aims to connect the world with the chemical sciences and invest profits back into the chemistry community. [Extracted from the article]

The external stimuli-responsive excited-state intramolecular proton transfer (ESIPT) on/off mechanism is a unique and expedient sensing method that offers easy monitoring through the transition between dual and single-peak emissions. To avail this advantage of ESIPT-based sensing for selective metal ion detection and trace water detection, we have synthesized a 2,5-dihydroxyterephthalate (dht)-based interwoven polycatenated coordination polymer (1). The synthesized compound has been thoroughly characterized using single-crystal and powder X-ray diffraction techniques, along with other physicochemical methods. The synthesized compound exhibits a visual luminescence color change from faint yellow to bright green under UV irradiation in the presence of Al3+ ions. This change is attributed to a blue shift in fluorescence maxima of the keto form of the dht ligand in contact with Al3+ ions. Additionally, the material detects Ag+ ions through an ESIPT-off mechanism. These significant changes in ESIPT – blue shifting for Al3+ and ESIPT-off for Ag+ – start in just 1 mM aqueous solutions of these ions. Significantly, the ESIPT-off for Ag+ is evident even in the presence of other interfering ions. Beyond metal ion detection, this material also offers both qualitative and quantitative sensing of trace amounts of water in various polar organic solvents, such as ethanol (EtOH), tetrahydrofuran (THF), isopropanol (IPA), acetone, and acetonitrile (ACN), through the ESIPT-on/off phenomenon. The activated framework of compound 1 (1′) can detect 2%, 4%, 4%, 3%, and 3% water in acetone, ACN, EtOH, IPA, and THF, respectively; through the conversion from a single to dual hump emission alteration. The respective ESIPT peak shift and ESIPT-on/off in the presence of metal ions and water is explained by the interaction between the host coordination polymer and guest analytes. [ABSTRACT FROM AUTHOR]

The document is a contents list from the journal CrystEngComm, focusing on the design and understanding of solid-state and crystalline materials. It includes articles on topics such as comparing slips induced by thermal stresses in SiC crystals, surface functionalized chalcogenides for Hg2+ removal, and structural insights into ketanserin salts. The journal also introduces a new journal, RSC Applied Interfaces GOLD, and features papers on various topics like azobenzene crystal motions, hydrogen peroxide photosynthesis, and biomass quasi-solid-state batteries. [Extracted from the article]

Composites with tailored compositions and functions have attracted widespread scientific and industrial interest. Metal–phenolic networks (MPNs), which are composed of phenolic ligands and metal ions, are amorphous adhesive coordination polymers that have been combined with various functional components to create composites with potential in chemistry, biology, and materials science. This review aims to provide a comprehensive summary of both fundamental knowledge and advancements in the field of MPN composites. The advantages of amorphous MPNs, over crystalline metal–organic frameworks, for fabricating composites are highlighted, including their mild synthesis, diverse interactions, and numerous intrinsic functionalities. The formation mechanisms and state-of-the-art synthesis strategies of MPN composites are summarized to guide their rational design. Subsequently, a detailed overview of the chemical interactions and structure–property relationships of composites based on different functional components (e.g., small molecules, polymers, biomacromolecules) is provided. Finally, perspectives are offered on the current challenges and future directions of MPN composites. This tutorial review is expected to serve as a fundamental guide for researchers in the field of metal–organic materials and to provide insights and avenues to enhance the performance of existing functional materials in applications across diverse fields. [ABSTRACT FROM AUTHOR]

Information storage and anti-counterfeiting are two very important applications of photochromic materials. Photochromic materials with both information storage and anti-counterfeiting should meet the requirements including fast coloration, good stability and reversibility, low storage cost, and practical application value. Herein, a novel viologen-based coordination polymer, Cd[(pbpy)0.5(HBTC)Cl]⋅2H2O (1) (pbpy = 1,1'-[1,4-phenylenebis-(methylene)]bis(4,4'-bipyridinium); HBTC2- = 1,3,5-benzenetricarboxylic acid), has been constructed. Compound 1 not only exhibits selective amine sensing properties, but also shows excellent photochromic properties, and the anti-counterfeiting of a two-dimensional code can be also realized through the color-changing behavior. Meanwhile, photochromic glass films of compound 1 were prepared, and compared to traditional optical information storage technology, these photochromic glass films have better water resistance and stability, improving their practical application stability. This work has further enriched the application of photochromic materials in the field of sensing, anti-counterfeiting and information storage. [ABSTRACT FROM AUTHOR]

In this work, we report the synthesis of two cobalt-based porous coordination polymers (PCPs): [Co3(BTC)2(H2O)12]n (1) and [Co3(BTC)2(DMP)8]n (2) [where BTC = 1,3,5-benzenetricarboxylate and DMP = 3,5-dimethylpyrazole]. These compounds were characterized using a range of physicochemical techniques, including UV-DRS, FT-IR, SCXRD, PXRD, TGA, and FE-SEM/EDX. The synthesized PCPs effectively catalyzed the degradation of various persistent organic pollutants (POPs) rapidly, which includes both cationic and anionic dyes such as Malachite Green (MG), Methylene Blue (MB), Indigo Carmine (IC), Methyl Orange (MO), Orange G (OG), and Eriochrome Black T (EBT). They also have excellent efficacy in degrading nitroaromatics viz. 4-nitrophenol (4-NP), 2,4-dinitrophenol (2,4-DNP), and 2,4,6-trinitrophenol (2,4,6-TNP) in the presence of NaBH4 as a reductant. In addition, these PCPs exhibited remarkable antibacterial and antifungal properties, demonstrating strong activity against bacterial strains such as Escherichia coli, Staphylococcus aureus, and Bacillus subtilis, as well as the fungal strain Candida albicans. These results indicate that these two PCPs have considerable potential for catalyzing the rapid degradation of POPs, while also showing promising biological activities, offering substantial opportunities for future research. [ABSTRACT FROM AUTHOR]

Ir-Ni alloys supported on SiO2 have been reported to show high catalytic activity for styrene hydrogenation; however, precise control of compositions and sizes of the Ir-Ni alloys is difficult when conventional metal salts are used as precursors. Furthermore, the concomitant formation of unalloyed Ni nanoparticles disturbs quantitative discussion about Ir-Ni alloy compositions. We report herein a preparation method of Ir-Ni alloys with precisely controlled compositions on SiO2 using Ni(NO3)2 and an Ir complex possessing CN- ligands, [Ir(CN)6]3- or [Ir(ppy)2(CN)2]- (ppy = 2-phenylpyridine), as precursors. The in situ formation of cyano-bridged coordination polymers involving Ir and Ni promotes the formation of Ir-Ni alloys, whose compositions are virtually the same as expected from the amounts of Ir and Ni used for the preparation, after heat treatment under H2. The use of [Ir(ppy)2(CN)2]- as the precursor resulted in the formation of smaller Ir-Ni alloy particles than those with [Ir(CN)6]3- related to the structures of the formed coordination polymers. [ABSTRACT FROM AUTHOR]

The document is a contents list from the journal CrystEngComm, which focuses on the design and understanding of solid-state and crystalline materials. It includes various papers on topics such as metal-organic frameworks, molecular magnetic materials, and photocatalytic properties. The journal is published by The Royal Society of Chemistry, a leading chemistry community that reinvests profits back into the chemistry community. [Extracted from the article]

Two CoII-coordination polymers were controllably obtained by the solvothermal reaction of C3 symmetric 5-bromo-1,3-benzenedicarboxylic acid (Br-1,3-H2BDC), 4,4′,4′′-(2,4,6-trimethylbenzene-1,3,5-triyl)tripyridine (4-TMTBT) ligand, and CoII salts. Co-CP-1 displayed a 3D net based on a mononuclear CoII center linked by Br-1,3-BDC2− and 4-TMTBT mixed ligands. Co-CP-2 featured a 3D network based on a trinuclear Co3(μ3-OH)(HCOO)(COO)4 unit and Br-1,3-BDC2− and 4-TMTBT ligands, which could be regarded as a new (3,7)-connected topology net. Interestingly, the two Co-CPs showed good catalytic activities for the alkene oxyalkylation reaction. In particular, Co-CP-2 exhibited higher catalytic performance and could be recycled at least for four cycles without loss of activity and structural integrity. [ABSTRACT FROM AUTHOR]

The "New Journal of Chemistry" published by the Royal Society of Chemistry features a variety of articles on cutting-edge research in the field of chemistry. The latest issue includes papers on topics such as vanadium chemistry, luminescent films, and electrode materials for supercapacitors. Researchers interested in interdisciplinary science and environmental preservation may find valuable insights in this journal. The journal aims to connect the global chemistry community and reinvest profits back into the field. [Extracted from the article]

Five novel lanthanide(III) coordination polymers, namely, europium(III), samarium(III), terbium(III), dysprosium(III) and gadolinium(III), with an enaminone derivative – 2-{[(4-methylphenyl)amino]methylene}-5,5-dimethylcyclohexane-1,3-dione (L), were obtained by two different synthesis methods. The composition and structure were investigated using IR spectroscopy, elemental analysis as well as powder and single-crystal X-ray diffraction (XRD) analysis. According to single-crystal XRD analysis data, the ligand exhibits bidentate bridging coordination mode, forming a polymer layered structure with the common formula [LnL2(NO3)3]n. All obtained compounds were isomorphous to each other. Upon investigating the photoluminescent properties, the quantum yield of the ligand was found to be 74%, but complex formation significantly decreased the quantum yield, such as for the europium complex, the quantum yield was only 7.6%. In the case of ligand, the kinetic curve was described by a biexponential function with luminescence lifetimes of 3.2 ns and 1.1 ns. For complexes, luminescence lifetime appeared in the millisecond region; it equalled 1.20 ms for the europium(III) complex and 0.52 ms for the terbium(III) complex. Triplet state energy was determined by both DFT calculations as well as registration of phosphorescence for the gadolinium(III) complex. The highest color purity was found to be achieved at 95.58% in the case of the europium(III) complex. [ABSTRACT FROM AUTHOR]

The document is a contents list for the journal "Dalton Transactions: An International Journal of Inorganic Chemistry," published by The Royal Society of Chemistry. It includes various articles on topics such as uranium extraction, ligands and their complexes, metal-organic frameworks, and materials for energy storage. The journal covers a wide range of research in the field of inorganic chemistry, showcasing diverse perspectives and advancements in the scientific community. [Extracted from the article]

The need for carbon‐neutralization technologies has prompted significant interest in developing materials for CO2 reduction. Donor–acceptor (D–A) based flexible porous coordination polymers {[Zn(o‐phen)(ndc)].(guest)}n, (guest = anthracene = 1‐Ant, and pyrene = 1‐Pyr) are reported as photocatalysts for CO2RR, yielding higher order CH4 product. Electron‐rich anthracene (Ant) and pyrene (Pyr) guests are confined within nanopores, forming D–A charge transfer (CT) complexes with o‐phen ligand of the host. CT interaction enhances visible light absorption and modulates excitonic properties of the photocatalyst by electronic push‐pull effect (exciton binding energy 87 meV for 1‐Ant and 104 meV for 1‐Pyr). Electron donation capability varies from Pyr to Ant, affecting catalytic properties; 1‐Ant yields 1.24 mmolg−1 of CH4 (0.47 mmolg−1 for 1‐Pyr) with CO as minor product. A mixed‐metal multivariate PCP {[Zn0.55Co0.45(o‐phen)(ndc)].(Ant)}n, (1′‐Ant) prepared based on solid‐solution approach by substituting Zn(II) with redox‐active Co(II) enhances CH4 production (2.79 mmolg−1, ≈94% selectivity). D–A CT complex harvests visible light and channels electrons to Co(II) for CO2RR. In situ DRIFTS and theoretical studies elucidate Co(II) site's role in CO2 binding and stabilizing reaction intermediates. This work underscores guest‐modulated electron transfer in PCPs for tailoring catalytic properties by introducing a redox‐active metal in a multivariate approach. [ABSTRACT FROM AUTHOR]

A nonporous [Pb(tadt)]n (tadt = 1,3,4‐thiadiazole‐2,5‐dithiolate) coordination polymer, KGF‐9, with a 2D infinite (−Pb−S−)n structure has been previously reported as a precious‐metal‐free photocatalyst for selective CO2‐to‐formate conversion under visible light. In the present work, a microwave (MW)‐assisted solvothermal reaction is used to synthesize KGF‐9 with improved physicochemical properties and catalytic activity. Compared with KGF‐9 prepared by the previously reported methods, that prepared by the new synthesis route exhibited a greater specific surface area, greater crystallinity, and greater photoconductivity. These improved properties led to a drastic increase of the apparent quantum yield (AQY) for selective formate production, from 2.6 to 25% at 400 nm; this AQY represents a record‐high value among reported heterogeneous photocatalysts for CO2‐to‐formate conversion. Interestingly, the AQY for formate production is unchanged irrespective of the light intensity (0.04–14 mW cm−2), indicating little contribution of charge accumulation in the bulk during the reaction (i.e., indicating efficient charge transport to surface reactants). When composited with Ketjen Black, KGF‐9 enabled the electrochemical conversion of CO2 to formate in aqueous solution while maintaining a high selectivity. A high‐rate reduction of CO2 to formate with a total absolute current density of 200–300 mA cm−2 is achieved, with a Faradaic efficiency (FE) of >90%. [ABSTRACT FROM AUTHOR]

Hofmann coordination polymers (CPs) with cationic ligands provide an innovative strategy for recognizing π‐electron‐rich aromatic molecules – similar to the "little blue box". In this study, we demonstrate that hydroquinone molecules can be incorporated into these coordination polymers when redox‐active bipyridinium derivatives are used as axial ligands. The insertion leads to a significant structural modification, resulting in a shift of the spin transition by 150 K and an approximate 23 % increase in volume, caused by the strong donor‐acceptor π‐π stacking interaction formed between the ligands and the guest molecule. These findings have been confirmed through temperature‐dependent single crystal X‐ray diffraction, magnetic measurements and optical reflectivity measurements. [ABSTRACT FROM AUTHOR]

The Chemical Communications journal, published by The Royal Society of Chemistry, features a variety of research articles on topics such as luminescent lanthanide metallopeptides, CO2 electrolysis, and supramolecular palladium complexes for cancer therapy. The journal covers a range of scientific discoveries in the field of chemistry, including studies on high-entropy alloy nanomaterials, asymmetric radical reactions, and novel nitrogen-doped porous carbon nanospheres for supercapacitors. The articles provide valuable insights into cutting-edge research in the chemical sciences, showcasing innovative approaches and applications in the field. [Extracted from the article]

The diagnosis and treatment of ovarian cancer (OC) are still a grand challenge, more than 70% of patients are diagnosed at an advanced stage with a dismal prognosis. Magnetic resonance imaging (MRI) has shown superior results to other examinations in preoperative assessment, while cisplatin‐based chemotherapy is the first‐line treatment for OC. However, few previous studies have brought together the two rapidly expanding fields. Here a technique is presented using cisplatin prodrug (Pt‐COOH), Fe3+, and natural polyphenols (Gossypol) to construct the nanoparticles (HA@PFG NPs) that have a stable structure, controllable drug release behavior, and high drug loading capacity. The acidic pH values in tumor sites facilitate the release of Fe3+, Pt‐COOH, and Gossypol from HA@PFG NPs. Pt‐COOH with GSH consumption and cisplatin‐based chemotherapy plus Gossypol with pro‐apoptotic effects displays a synergistic effect for killing tumor cells. Furthermore, the release of Fe3+ at the tumor sites promotes ferroptosis and enables MRI imaging of OC. In the patient‐derived tumor xenograft (PDX) model, HA@PFG NPs alleviate the tumor activity. RNA sequencing analysis reveals that HA@PFG NPs ameliorate OC symptoms mainly through IL‐6 signal pathways. This work combines MRI imaging with cisplatin‐based chemotherapy, which holds great promise for OC diagnosis and synergistic therapy. [ABSTRACT FROM AUTHOR]

The preparation of highly efficient photoluminescent rare‐earth based coordination compounds, characterized by photoluminescence quantum yield (PLQY) over 90% and thermal/chemical stability that allows their processing in various media (aqueous solutions, polymeric films, etc.) holds enormous significance in their applicability. Herein, a family of isostructural coordination polymers (CPs) with 6‐methyl‐2‐oxonicotinate (6m2onic) ligand, chemically and structurally characterized as {[M(6m2onic)4Na(H2O)3]·8H2O}n [where M(III) = Eu (1Eu), Tb (2Tb), Gd (3Gd), Y (4Y) and Eu0.5Tb0.5 (5Eu‐Tb)], are reported. Their peculiar crystal structure, based on a hydrogen‐bonded framework of 1D arrays in which octacoordinated metal centers (established by four chelating 6m2onic ligands) and Na centers are sequentially linked, gives rise to an excellent metal–organic system benefitting from not only bright PL emissions in solid state but also enough chemical and thermal stability as to yield PL water‐soluble complexes and photostable thin‐films. In particular, the terbium(III)‐based counterpart highlights for its first‐in‐class PLQY and versatility, which imbues the compound with efficiencies of 97% in bulk state, 35% in aqueous solution, 85% in polymer‐based thin‐films and 15% after its calcination at 250 °C. The experimental photophysical characterization in those media, involving also pH‐responsive behavior, is well supported by a solid theoretical analysis of their intramolecular transfers and electronic transitions. [ABSTRACT FROM AUTHOR]

Understanding charge transport properties of large‐area single‐layer 2D materials is crucial for the future development of novel optoelectronic devices. In this work, the synthesis and electrical characterization of large‐area single‐layers of Cu3BHT 2D conjugated coordination polymers are reported. The Cu3BHT are synthesized on the water surface by the Langmuir‐Blodgett method and then transferred to SiO2/Si substrates with pre‐patterned electrical contacts. Electrical measurements revealed ohmic responses across areas up to ≈1 cm2, with a mean resistance of approximately 53 ± 3 kΩ at a probe separation of 50 µm. Cooling and heating cycles show hysteresis in the electrical response, suggesting different current pathways are formed as the samples underwent structural‐chemical changes during temperature sweeps. This hysteresis vanished after several cycles and the conductivity shows a stable exponential behavior as a function of temperature, suggesting that a temperature‐dependent tunneling process is governing the conduction mechanism in the analyzed polycrystalline single‐layer Cu3BHT samples. These results, together with density functional theory calculations and valence band X‐ray photoelectron spectroscopy data suggest that the single‐layer samples exhibit a semiconducting rather than a metallic behavior. [ABSTRACT FROM AUTHOR]

The 1D array of electron donor–acceptor chromophoric organic molecules is of paramount importance for photovoltaic, catalytic and optoelectronic applications. Herein, we report coordination driven 1D arrays of an electron-donor guest (fluorene, carbazole, dibenzofuran, and dibenzothiophene) and o-phen chelator as an acceptor in a Zn-based porous coordination polymer, {[Zn(o-phen)(ndc)]·DMF} (PCP-1). All the guest-encapsulated PCPs were characterized by performing single-crystal structure determinations and showed emission driven by charge transfer. Exciton binding energies were calculated and correlated with electron-donating capabiliities of the guest molecules. [ABSTRACT FROM AUTHOR]

The "New Journal of Chemistry" published by the Royal Society of Chemistry features a variety of research articles in the field of chemistry. The latest issue includes papers on topics such as the synthesis of acyclic analogues of adenosine sulfonamides, construction of covalent organic frameworks, and studies on various chemical compounds and reactions. The journal aims to connect the global chemistry community and invest profits back into the field of chemistry. [Extracted from the article]

The development of lead-free primary explosives is urgent from industrial and military aspects. Herein, a typical energetic molecule with the dinitromethyl group and tetrazole ring was selected as the ligand for different alkali metals (Na, K, Rb, and Cs) to achieve a series of energetic coordination polymers (ECPs), namely, ECP 1 to ECP 4. The DNMT molecule showed outstanding coordination ability with metal ions to form diverse metal complexes and coordination frameworks. It was found that the conformation of the energetic ligand as well as the framework structure can be tuned by the deprotonation of DNMT and the corresponding metal centers. Interestingly, a rare metal–π(tetrazole) coordinate bond was also observed in ECP 3, which is valuable for designing new ECPs and energetic metal complexes (EMCs). A new method has been developed for predicting the energetic properties of EMCs and ECPs. The calculation results indicate that the DNMT-based ECPs have good detonation performance and can be used as lead-free primary explosives. Moreover, the perforated lead plate test reveals the extensive application of the DNMT-based ECPs in emerging laser-initiated explosives. Compared to pure DNMT, the DNMT-based ECPs show significantly enhanced thermal stability. The mechanisms behind different detonation performances and thermal stabilities among the DNMT-based ECPs were also discussed. All the results will be valuable for the future development of ECPs in the applications of lead-free primary explosives. [ABSTRACT FROM AUTHOR]

The document is a contents list from the journal CrystEngComm, focusing on the design and understanding of solid-state and crystalline materials. It includes research papers on topics such as organic-inorganic hybrid oxygen evolution catalysts, crystal structure prediction, battery construction, and magnetic studies of coordination polymers. The journal also covers topics like colorimetric detection, degradation of pollutants, and laser crystal growth, showcasing a diverse range of research in the field of chemistry. [Extracted from the article]

The synthesis, structures, adsorption, and magnetic properties of two two-dimensional (2D) coordination polymers, [M(btca)1/2(bpe)1/2(H2O)2]n (M = Ni2+ (1) and Co2+ (2); H4btca = 1,2,4,5-benzenetetracarboxylic acid; bpe = 1,2-di(4-pyridyl)ethane) constructed by mixed bipyridyl–tetracarboxylate ligands were reported. Single-crystal X-ray diffraction studies reveal the 3D hydrogen-bonded networks sustained by O–H⋯O H bonds between the 2D layers. The 2D structure topology of the compounds is a new {4.6·2}2{4·2.6·2.8·2} bex topology while the 3D framework is different because of the distinct H bond interactions. Both compounds exhibit high thermal stability above 150 °C. N2 adsorption measurements reveal that both compounds are non-porous structures, while compound 1 exhibits CO2 adsorption, possibly due to structural expansion after CO2 accommodation. Magnetic investigations indicated that framework 2 exhibits field-induced slow magnetic relaxation due to the large magnetic anisotropy of Co2+ ions (zero-field splitting parameter D = 42.1 cm−1), while framework 1 shows simple paramagnetism with a small D of −11.3 cm−1. This work not only provides two new coordination polymers but also a potential bipyridyl–tetracarboxylate approach for the design and construction of single-ion magnet (SIM) frameworks. [ABSTRACT FROM AUTHOR]

Coordination compounds with slow magnetic relaxation are of great interest due to their magnetic bistability. Herein, three cobalt(II) coordination polymers, formulated as {[Co2(btca)(bpym)]·4H2O}n (1) and {[Co2(btca)(bpym)]·2DMF·2H2O}n (2), {[Co2(H2btca)2(bpym)]}n (3) (H4btca = 1,2,4,5-benzenetetracarboxylic acid; bpym = 2,2′-bipyrimidine), were solvothermally synthesized and magnetically characterized. Single-crystal structural analyses reveal that compounds 1 and 2 are Co2+ dimer-based one-dimensional (1D) and 2D coordination polymers, respectively, while compound 3 is a Co2+ chain-based 2D coordination polymer with a new topology. The Co2+ dimers and chains in these compounds are well magnetically isolated due to the bulk tetracarboxylic linker. Magnetic studies reveal that antiferromagnetic interactions exist between the Co2+ ions bridged by the bpym ligand. For 1, no relaxation behavior can be detected, suggesting the paramagnetic behavior of 1. Interestingly, alternating current (AC) magnetic measurements observed slow magnetic relaxation under a 1000 Oe field for 2 and 3. These results provide not only three cobalt(II) coordination polymers with varying topology and magnetic behaviors but also a pyrimidine–tetracarboxylic ligand platform for designing new slow magnetic relaxing coordination polymers. [ABSTRACT FROM AUTHOR]

Viologen-based photochromic materials with photochromicity and photoluminescence have great advantages in anti-counterfeiting applications. Two novel viologen-based multifunctional Ln-MOFs Eu2Cl(m-bpybdc)L2(NO3)2·(H2O)5 (1) and Tb2Cl(m-bpybdc)L2(NO3)2·(H2O)6 (2) (m-bpybdc = 1,1′-bis(3-carboxyphenyl)-4,4′-bipyridinium and H2L = isophthalic acid) with three-dimensional structures were synthesized solvothermally. Both compounds exhibited reversible discoloration in response to external light and electrical stimulation. Notably, compound 1 presented strong fluorescence under ultraviolet light, showing the characteristic red emission of Eu3+. We further explored the application of these compounds in the field of anti-counterfeiting. These results provide useful data on the structure, luminescence, and light response of viologen-based lanthanide coordination polymers for their effective application. [ABSTRACT FROM AUTHOR]

The reactions of a series of organic polynitriles with [Te4][AsF6]2 in liquid SO2 solution lead either to reduction of [Te4]2+ to elemental tellurium or to the formation of coordination polymers. With 1,3‐dicyanobenzene (1,3‐DCB), 1,4‐dicyanobenzene (1,4‐DCB), 1,2,4,5‐tetracyanobenzene (TCB), tetracyanoethylene (TCNE) and tetracyanochinodimethane (TCNQ) the coordination complexes [Te4][AsF6]2 ⋅ 2(1,3‐DCB), [Te4][AsF6]2 ⋅ 3(1,4‐DCB) ⋅ 2SO2, [Te4][AsF6]2 ⋅ TCB, [Te4][AsF6]2 ⋅ TCNE and [Te4][AsF6]2 ⋅ TCNQ ⋅ 8 SO2 were isolated and characterized by crystal structure analyses and vibrational Raman spectroscopy. The nitriles are coordinated to the square‐planar clusters forming 1D chains, 2D arrangements and 3D networks. Tetrakis(dicyanomethylene)cyclobutendiide [C4(C{CN}2)4]2− is oxidized by [Te4]2+ to the neutral cyanocarbon C4(C{CN}2)4, structurally representing a 4[radialene]. The ionization potentials and electron affinities of the cyanamide anion, cyanogen, 1,2‐DCB, 1,3‐DCB, 1,4‐DCB, TCB, C4(C{CN}2)4, TCNE and TCNQ and those polynitriles, which cause reduction of [Te4]2+, were calculated at coupled‐cluster level of theory in order to examine possible reasons for the stability of the coordination polymers based on electronic properties of the nitriles. [ABSTRACT FROM AUTHOR]

Utilizing the flexible carboxylic acid ligand, tri (4‐carboxybenzyl) amine (H3L), three new metal organic frameworks Na[Cd(L)]n ⋅ 3nH2O (1), [Cd(HL)(4,4'‐bipy)0.5(H2O)]n (2) (4,4'‐bipy=4,4'‐bipyridine) and [Cd(HL)(2,2'‐bipy)]n (3) (2,2'‐bipy=2,2'‐bipyridine) have been successfully synthesized. Compounds 1 and 2 are 2D structures with (3,6) 2‐nodal as kgd topology, while compound 3 is a 1D chain structure. The powder X‐ray diffraction and thermal stability of 1–3 were studied. In addition, the solid‐state luminescence properties of compounds 1–3 at room temperature were also tested, indicating their application prospects in fluorescent materials. [ABSTRACT FROM AUTHOR]

Efforts are underway to develop highly active catalysts to reduce the high overpotential of the oxygen evolution reaction (OER). Metal–organic frameworks or coordination polymers are promising candidates because of their tunable structures and high surface areas. In this study, Nickel and Cobalt trans‐cinnamate (t‐ca) were synthesized via a hydrothermal method. Their structures were analyzed and found to be isostructural. Both complexes exhibited superior electrocatalytic properties in the OER compared to those of IrO2, with overpotentials of 373 and 390 mV and Tafel slopes of 58 and 66 mV/dec. These excellent characteristics were attributed to the electron delocalization of the metal centers via interactions with π‐π delocalized organic ligands. Ni t‐ca, with stronger ligand interactions, displayed an enhanced OER catalytic performance, emphasizing the importance of metal–ligand interactions and suggesting that further exploration of diverse π–π delocalized organic ligands and metal centers may lead to further advancements in electrocatalytic activity. [ABSTRACT FROM AUTHOR]

The Chemical Communications journal, published by The Royal Society of Chemistry, features articles on various topics such as catalytic enantioselective construction, microbial transformation of heavy metals, and alkyne annulations. The journal also covers topics like photoswitches, ammonia adsorption, and selective photocatalytic CO2 reduction. Additionally, the journal includes articles on topics like thiazole synthesis, redox platforms, and lanthanide coordination polymers. The publication aims to uncover new possibilities and provide fundamental answers to scientific questions. [Extracted from the article]

The coordination polymer {[Cu6(CN)6]·HPD}n, CP1; (HPD = heptane‐1,7‐diamine) was prepared and characterized by single‐crystal and powder X‐ray diffraction, UV–Vis spectroscopy, electron microscopy (TEM and SEM), and elemental analyses. The copper atoms are coordinated by C ≡ N ligands, and both exhibit tetrahedral geometry. Cu1 and Cu2 create the pretty unique cluster structure of two quadruple [Cu2(μ3‐CN)2] units exhibiting coprophilic interaction. The building blocks [Cu3(CN)3]2 form fused distorted rectangular rings surrounded with the [Cu2(μ3‐CN)2] motifs exhibiting wide voids to accommodate the guest HPD. The structure of 1 indicates the formation of channels with dimensions 5.121–8.469 Ǻ which extend three‐dimensionally creating fused cavity morphology with different shapes. CP1 was utilized as an efficient sensor for selective quantitative estimation of metal ions (Co2+) and explosives (NB). Advanced oxidation process (AOP) was used as an efficient photocatalyst for the removal of the antibiotic meloxicam (MEL) utilizing AOP in the presence of H2O2 as an oxidant. Scavenge experiments, reusability of catalyst 1, and mechanism of oxidation were also discussed. [ABSTRACT FROM AUTHOR]

Development of efficient, low‐cost, robust, and structure tunability electrocatalysts for hydrogen evolution reaction (HER) is one of the main subjects of present study in renewable energies. In this work, two new cuprous iodide coordination polymers (Cu‐CPs) containing bisbenzimidazole‐derived ligand, namely, {[Cu2(L1)(μ2‐I)2]·DMF}n (1) and {[Cu(L2)0.5(μ2‐I)]·DMF} (2) (L1 = (2,2′‐(1,3‐propanediyl)‐6,6′‐bis(3‐methylpyridine)bis‐1,3‐benzimidazole); L2 = (2,2′‐(1,4‐butanediyl)‐7,7′‐bis(3‐methylpyridine)bis‐1,3‐benzimidazole); DMF = dimethyl formamide), were prepared under solvothermal conditions and structurally characterized. Single‐crystal structural analysis showed that although two Cu‐CPs have a one‐dimensional (1D) chain backbone structure, the coordination environment of cuprous is different. It is found that different coordination modes of ligands L1 and L2 lead to different coordination environments of central ions in two cuprous CPs. Electrocatalytic HER of modified electrodes (CP‐1~2/glassy carbon electrode [GCE]) prepared by coating the mixed solution of acetylene black, CPs 1–2, and Nafion on the surface of GCE was investigated in 0.5 M H2SO4 electrolyte. The HER measurements show that the overpotential η10293K of CP‐1~2/GCE positively shifted 113 and 74 mV compared with bare GCE (blank electrode, −930 mV), and the Tafel slope of bare/GCE and CP‐1~2/GCE were 298, 101, and 138 mV dec−1, respectively. The results indicate that CP‐1~2/GCE could effectively catalyze and accelerate the HER behavior, with electrocatalytic activity order being CP‐1/GCE > CP‐2/GCE > bare/GCE. The higher HER activity of the CP‐1/GCE can be attributed to that the coordination deformability of cuprous ion in CP 1 is greater. Furthermore, the recognition performance of CP‐1~2/GCE for glucose was further studied by chronoamperometry in 0.1 M NaOH. The two sensors can detect glucose in a linear range from 1 μM to 4 mM with sensitivities of 13.736 and 18.945 μA mM−1, and also revealed long‐term stability and good selectivity. These results indicate that cuprous CPs deserve further investigation as potential electrocatalyst candidates. [ABSTRACT FROM AUTHOR]

Novel Fe N C electrocatalysts derived from conjugated microporous polymers based on pre-functionalization of monomers was developed, which exhibits great potential for cathodic oxygen reduction reaction in fuel cell and provides a feasible strategy of developing multi-atoms doping catalysts for heterogeneous catalysis. [Display omitted] Porous iron–nitrogen-doped carbons (Fe N C) offer a great platform for construction of cathodic oxygen reduction reaction (ORR) catalysts in fuel cells. However, challenges still remain regarding with the collapse of carbon-skeleton during pyrolysis, uneven distribution of active sites and aggregation of metal atoms. In this work, we synthesized Fe, N co-doped conjugated microporous polymer (FeN-CMP) through a facile bottom-up strategy using 1,3,5-triethynylbenzene and iron-chelated 3,8-dibromo-1,10-phenanthroline as monomers, ensuring the uniform coordination of N with Fe element in network. Then, the resulting FeN-CMP was treated by pyrolysis without structural collapse to obtain porous Fe N C electrocatalyst for ORR. The most active catalyst was fabricated under 900 °C, which exhibits remarkable ORR activity in alkaline medium with half-wave potential of 0.796 V (18 mV and 105 mV positive deviation from the commercial Pt/C catalyst and post-doping catalyst), high selectivity with nearly 4e- transfer process and excellent methanol tolerance. Our study first developed porous Fe N C electrocatalysts derived from Fe, N -anchoring CMPs based on pre-functionalization of monomers, which exhibits great potential as an alternative to commercial Pt/C catalyst for ORR, and provides a feasible strategy of developing multi-atoms doping catalysts for energy storage and conversion as well as heterogeneous catalysis. [ABSTRACT FROM AUTHOR]

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A d10 Cu(I) two‐dimensional (2D) metal–organic framework (MOF) with chemical formulas, {[Cd(L)(tcm)(H2O)]⋅2H2O}n (1) (L = 1,3,5‐tris(4‐pyridylethynyl)benzene; tcm−1 = tricyanomethanide) was synthesized and structurally characterized by single crystal X‐ray diffraction method. In 1, the coordination geometry of Cu(I) ion is distorted tetrahedral coordinated to four N atoms from three L and one tcm− ligands. A 2D puckered honeycomb‐like layer is formed via the bridges of Cu(I) ions and L ligands with tris‐monodentate coordination mode. Two 2D layers are mutually interpenetrated via the π–π stacking interaction between benzene ring of L ligand and pyridyl ring of neighboring L ligand to form a two‐fold interpenetrated 2D net and then arranged orderly to construct its 3D supramolecular network. Thermal stability and in‐situ temperature‐dependent structural variations of 1 are performed by TG analysis associated with temperature‐dependent PXRD measurement. The water vapor ad‐/de‐sorption isotherm and CO2 adsorption isotherm of 1 are measured and discussed. [ABSTRACT FROM AUTHOR]

In recent years, it has been demonstrated that the energetic properties of many tetrazole-containing compounds can be enhanced through the formation of the corresponding N-oxides. The introduction of N–O groups increases the oxygen balance of tetrazole compounds, while providing additional coordination sites and enriching the coordination modes between tetrazole compounds and metal ions. The introduction of O atoms alters the polarity of the substance from N to N–O, the packing and density increase and therefore the detonation velocity (VD) and pressure (P) also increase. Based on this, energetic coordination polymers (ECPs) with tetrazole N-oxides serving as ligands possess extremely high research value. In this paper, we aim to summarize the existing ECPs based on tetrazole N-oxides briefly and discuss their advantages, emphasizing their excellent stability and application prospects. [ABSTRACT FROM AUTHOR]

The document is the contents list of the New Journal of Chemistry, published on October 28, 2024. It includes a list of communications and papers featured in the journal, covering various topics in chemistry such as catalytic synthesis, hydroesterification, nanoparticles, luminescence, and drug delivery. The journal is published by The Royal Society of Chemistry and the Centre National de la Recherche Scientifique. [Extracted from the article]

The document is a contents list for the journal CrystEngComm, which focuses on the design and understanding of solid-state and crystalline materials. It includes articles on topics such as the synthesis of metal and metal oxide nanoparticles, the structural basis of pharmaceutical solvate crystals, and the synthesis of multicomponent cocrystals and salts. The journal is published by The Royal Society of Chemistry, a leading chemistry community. The document also provides information on other papers and research topics covered in the journal. [Extracted from the article]

Four one-dimensional (1D) naphthalenediimide-based zinc coordination polymers, namely, [ZnI2(4-PMNDI)] (1), [ZnI2(3-PMNDI)]2·DMF (2), [ZnI2(3-PMNDI)]2·DMA (3), and [ZnI2(3-PMNDI)]2·NMP (4) (4-/3-PMNDI = N,N′-bis(4-/3-pyridylmethyl)-1,4,5,8-naphthalenediimide, where DMF = N,N′-dimethylformamide, DMA = N,N′-dimethylacetamide, and NMP = N-methyl pyrrolidone), were synthesized, which exhibited completely different electronic and photoresponsive behaviors. Compared with the optical inertness of 1, 2–4 exhibited noticeable photochromic behaviors, which was attributed to the usage of 3-PMNDI and consequently the formation of different interfacial contacts of electron acceptors (EAs)/electron donors (EDs) as well as the occurrence of new electron-transfer channels (lone pair–π and π–π interactions) in 2–4. Interestingly, the sequential photochromic behaviors of 2–4 (brown to dark brown for 2, light brown to brownish black for 3, and earthy yellow to brownish black for 4) were primarily attributed to the introduction of different electron-rich solvents, which led to the slightly different interfacial contacts of the EAs/EDs. This work provides a new strategy for the manipulation of electronic behaviors from sole intermolecular charge transfer (ICT) to photoinduced intermolecular electron transfer (PIET) and the photoresponsive behaviors from "OFF" to "ON" by adjustment of the interfacial contacts of EAs/EDs for the first time. [ABSTRACT FROM AUTHOR]

Lithium, sodium, and potassium derivatives of amino‐acid derived bis(dithiocarbamate) complexes of bivalent nickel, palladium, platinum, and copper are readily available by treatment of the carboxylic‐acid functionalized complexes with the respective alkali metal hydroxide. Representative derivatives of the types A4[M(L1)2], A2[M(HL1)2], A[M(HL1)(H2L1)] (N‐dithioato‐iminodiacetate, L1), and A2[M(L2,3)2] (N‐dithioato‐l‐prolinate, L2, and ‐N‐benzylglycinate, L3; A=Li, Na, K; M=Ni, Pd, Pt, Cu) were isolated and characterized by spectroscopic and thermal methods. Six entries were accessible to single‐crystal X‐ray structure determination, revealing the presence of different coordination‐polymeric structures and hydrogen‐bonded assemblies comprising solvent‐separated cations in the solid state. While the transition metal always retains its all‐sulfur coordination with defined geometry, the alkali metals are structurally more flexible. The latter are usually coordinated by carboxylate and water, but additional interactions with sulfur donors are also relevant in some cases. [ABSTRACT FROM AUTHOR]

Porous polymer show great potential for CO2 capture owing to its high specific surface area, adjustable porous structure and chemical structure. Herein, a novel CO2 adsorption materials ALP−M (M: Cu2+, Mg2+, Ni2+) were prepared through coordination between azo‐linked porous polymer (ALP) synthesized by oxidative coupling polymerization of tris(4‐aminophenyl)amine and metal ions. The structures and morphology of as‐prepared materials were demonstrated by FT‐IR, XRD, XPS, BET and SEM, the CO2 capture performance and mechanism of ALP−M were also investigated through static adsorption and column adsorption experments, the results show that metal ions can enhance the CO2 adsorption and desorption performance of ALPs by coordination adsorption. ALP−M showed a highest static CO2 adsorption capacity of 2.67 mmol g−1 at 273 K (1 bar), which is 35.5 % higher than that of ALP. The metal ions served as Lewis acid sites can enhance the affinity of adsorbent for CO2. In column adsorption experiments, the ALP−M showed a higher saturated adsorption capacity 4.99 mmol g−1 at 273 K (1 bar) than that of static adsorption, and excellent cycling stability after 500 adsorption and desorption cycles, the adsorption capacity retention rate of ALP−M for CO2 can reach 98 %. [ABSTRACT FROM AUTHOR]

ABSTRACT The development of low‐cost, high‐efficiency, stable, and structurally adjustable electrocatalysts for hydrogen evolution reaction (HER) is of great significance for energy conversion. In this study, two new Cu(I) coordination polymers (CPs), formulated as {[Cu(L1)](PF6)·CH2Cl2}n (1) and {[Cu2(L2)1.5(PPh3)](PF6)2}n (2) (L1 = 1,3‐bis[1‐(pyridin‐3‐ylmethyl) ‐1H‐benzimidazol‐2‐yl]propane, L2 = 1,4‐bis[1‐(3‐pyridylmethyl)‐1H‐benzimidazol‐2‐yl]butane), were synthesized by interfacial diffusion method and characterized by single‐crystal x‐ray diffraction and IR and UV–Vis spectra. Structural analysis shows that the CP‐1 is a one‐dimensional chain structure, whereas the CP‐2 is a two‐dimensional layered structure, which is due to the different coordination modes of ligands L1 (bridging chelation) and L2 (bridging). The electrocatalytic activity for HER of Cu(I) CPs was studied by preparing modified glassy carbon electrodes (CP‐1/GCE and CP‐2/GCE). Electrochemical HER studies manifest that in 0.5 M H2SO4, the overpotential (η10298K) and Tafel slope (b 298K) are −769 mV and 173 mV dec−1 for CP‐1/GCE, −933 mV and 301 mV dec−1 for CP‐2/GCE, and −930 mV and 298 mV dec−1 for bare/GCE, respectively. The η10298K and b298K of CP‐1/GCE were significantly positive shifted and decreased compared with the bare/GCE, indicating that CP‐1/GCE has significant electrocatalytic activity and electrocatalytic HER activity order is CP‐1/GCE > CP‐2/GCE ≈ bare/GCE. This work provides an important reference for the application of non‐noble metal CPs in the field of electrocatalysis. [ABSTRACT FROM AUTHOR]

Two-dimensional conjugated coordination polymers exhibit remarkable charge transport properties, with copper-based benzenehexathiol (Cu-BHT) being a rare superconductor. However, the atomic structure of Cu-BHT has remained unresolved, hindering a deeper understanding of the superconductivity in such materials. Here, we show the synthesis of single crystals of Cu3BHT with high crystallinity, revealing a quasi-two-dimensional kagome structure with non-van der Waals interlayer Cu-S covalent bonds. These crystals exhibit intrinsic metallic behavior, with conductivity reaching 103 S/cm at 300 K and 104 S/cm at 2 K. Notably, superconductivity in Cu3BHT crystals is observed at 0.25 K, attributed to enhanced electron-electron interactions and electron-phonon coupling in the non-van der Waals structure. The discovery of this clear correlation between atomic-level crystal structure and electrical properties provides a crucial foundation for advancing superconductor coordination polymers, with potential to revolutionize future quantum devices. Two-dimensional conjugated coordination polymers can show large electrical conductivity. Here, the authors synthesize high-quality single crystals of Cu3BHT to unveil the atomic structure and intrinsic superconducting properties. [ABSTRACT FROM AUTHOR]

Reticular materials are one of the more promising tools that humankind has developed to address the required energy transition. Despite their great potential showcased in the last decade, their use is so far mainly confined to the laboratory bench due to drawbacks derived from their powdery morphology. Unlike zeolites and activated carbons, the challenges in shaping and densification of reticular materials hamper their full implementation in the industry. Hence, strategies for shaping and integrating these materials need to be prioritized. Most of the existing strategies rely on applying mechanical pressure and adding chemical binders, but these approaches, although useful for shaping, diminish their final adsorption capacities and do not bring their theoretical, predicted performance. On the other hand, obtaining self‐shaped, dense bodies—so‐called monoliths—arises as a very promising and scalable alternative. Sol–gel monoliths are still scarce in the scientific literature despite their outstanding performance, particularly in terms of volumetric adsorption capacity. This review intends to help expand this scope by offering a rational guide on the self‐shaping of dense monoliths for reticular materials, as well as a complete revision of the state‐of‐the‐art in the field. [ABSTRACT FROM AUTHOR]