Debanjan Chakraborty, Sanchari Dasgupta, Oleksii Kolmykov, Maria Inês Severino Neves, Vanessa Pimenta, Abeer Mohtar, Cátia Freitas, Iurii Dovgaliuk, Moises L. Pinto, Georges Mouchaham, Farid Nouar, Christian Serre
{"title":"A Green Scalable Method to Prepare Zr Oxide Dicarboxylate Metal–Organic Frameworks","authors":"Debanjan Chakraborty, Sanchari Dasgupta, Oleksii Kolmykov, Maria Inês Severino Neves, Vanessa Pimenta, Abeer Mohtar, Cátia Freitas, Iurii Dovgaliuk, Moises L. Pinto, Georges Mouchaham, Farid Nouar, Christian Serre","doi":"10.1002/ejic.70322","DOIUrl":"https://doi.org/10.1002/ejic.70322","url":null,"abstract":"<p>We report the synthesis of a series of isoreticular hydrophobic microporous zirconium dicarboxylate metal–organic frameworks (MOFs), MIL-140(Zr)s, under green ambient pressure conditions. Their pore sizes and hydrophilic/hydrophobic balance can be finely adjusted with a view to potential applications. MIL-140A(Zr) has a pore size of 3.2 Å, made from benzene dicarboxylate ligands, and MIL-140B(Zr) has a pore size of 4 Å built from naphthalene dicarboxylate ligands, the latter with a more hydrophobic balance. We report herein the synthesis optimization, scale-up, and shaping of this MOF series, avoiding the use of chemicals, organic solvents that are toxic or/and Carcinogenic, Mutagenic, Reprotoxic (CMR), and corrosive starting chemicals. The activation process required no additional washing/purification steps. Finally, we considered their use for the removal of traces of acetic acid for cultural heritage preservation applications in the presence of moisture from indoor air at museums, archives, and private collections. After a scale-up of MIL-140B(Zr) at a 50 g scale using a 5 L double-wall batch reactor, we evaluated the performance of acetic acid capture under humid conditions. The performance of shaped MIL-140B(Zr) in comparison with benchmark zeolites and activated carbons was also evaluated.</p>","PeriodicalId":38,"journal":{"name":"European Journal of Inorganic Chemistry","volume":"29 30","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ejic.70322","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149235393","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Tamara J. Bednarchuk, Magdalena N. Rowińska, Oleksandr Korolevych, Dagmara Stefańska, Anna Gagor
{"title":"Hydrogen-Bond-Mediated Modulation of the Valence Band in Isostructural Morpholinium-Based Bi3+ and Sb3+ Iodides","authors":"Tamara J. Bednarchuk, Magdalena N. Rowińska, Oleksandr Korolevych, Dagmara Stefańska, Anna Gagor","doi":"10.1002/ejic.70329","DOIUrl":"https://doi.org/10.1002/ejic.70329","url":null,"abstract":"<p>Two isostructural zero-dimensional (0D) hybrid metal iodides, (MOR)<sub>2</sub>(H<sub>5</sub>O<sub>2</sub>)[BiI<sub>6</sub>] (<b>1</b>) and (MOR)<sub>2</sub>(H<sub>5</sub>O<sub>2</sub>)[SbI<sub>6</sub>] (<b>2</b>) (MOR = morpholinium), were synthesized and characterized. Single-crystal X-ray diffraction at 100 K reveals isolated [BiI<sub>6</sub>]<sup>3−</sup> and [SbI<sub>6</sub>]<sup>3−</sup> octahedra separated by morpholinium cations and Zundel-like (H<sub>5</sub>O<sub>2</sub>)<sup>+</sup> units forming an extended hydrogen-bonding network. Hirshfeld surface analysis confirms the complementary roles of strong O─H<b>···</b>O hydrogen bonds and weaker H···I contacts in stabilizing this framework. DFT calculations including spin–orbit coupling show that optical absorption is dominated by the inorganic framework. Remarkably, interaction between (H<sub>5</sub>O<sub>2</sub>)<sup>+</sup> and [BiI<sub>6</sub>]<sup>3−</sup> modifies the composition of the valence band maximum, whereas no analogous effect is observed in <b>2</b> containing [SbI<sub>6</sub>]<sup>3−</sup> octahedra. Diffuse reflectance measurements confirm calculated bandgaps and reveal different transition characters for both materials demonstrating that subtle hydrogen-bond-mediated electronic interactions can govern the electronic structure of structurally analogous 0D hybrid halides. Both compounds exhibit reversible thermochromism upon cooling (amber-orange → pale yellow for <b>1</b> and golden yellow → pale greenish-yellow for <b>2</b>); additionally, <b>1</b> generates green luminescence attributed to the <sup>3</sup>P<sub>1</sub> → <sup>1</sup>S<sub>0</sub> transition whereas <b>2</b> displays red to NIR photoluminescence attributed to both singlet and triplet self-trapped excitons (STE).</p>","PeriodicalId":38,"journal":{"name":"European Journal of Inorganic Chemistry","volume":"29 30","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149235354","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Theoretical Investigation of the Electronic Structure and Heisenberg-Like Exchange Couplings of Single-Atom Bridged Diuranium U─X─U (UIII/IV; X = N3−, O2−, S2−) Complexes","authors":"Lotfi Belkhiri, Rémi Maurice, Karine Costuas, Abdou Boucekkine","doi":"10.1002/ejic.70317","DOIUrl":"https://doi.org/10.1002/ejic.70317","url":null,"abstract":"<p>Electronic structure and Heisenberg-like exchange couplings of single-atom bridged aryl diuranium [(U(OAr)<sub>3</sub>)<sub>2</sub>(μ-X)]<sup>q</sup> (U<sup>III/IV/V</sup>; X = N<sup>3−</sup>, O<sup>2−</sup>, S<sup>2−</sup>; <i>q</i> = −3, −2, −1, 0; ArO<sup>−</sup> = 2,6-di-<i>tert</i>-butylphenoxide) complexes, exhibiting a linear U─X─U magnetic core, have been investigated computationally using scalar relativistic density functional theory (DFT). These complexes include nitride U─N─U [(U(OAr)<sub>3</sub>)<sub>2</sub>(μ-N)]<sup>q</sup> species, oxide U─O─U [(U(OAr)<sub>3</sub>)<sub>2</sub>(μ-O)]<sup>q</sup>, and their sulfide U─S─U [(U(OAr)<sub>3</sub>)<sub>2</sub>(μ-S)]<sup>q</sup> congeners, exhibiting trivalent U<sup>III</sup>/U<sup>III</sup> state, tetravalent U<sup>IV</sup>/U<sup>IV</sup>, and mixed-valence U<sup>III</sup>/U<sup>IV</sup> derivatives. The calculated coupling constants <i>J</i><sub>U─U</sub>, using the Broken Symmetry (BS) approach, agree with the antiferromagnetic (AF) character observed in the case of the U<sup>IV</sup>/U<sup>IV</sup> [(U(OAr)<sub>3</sub>)<sub>2</sub>(μ−N)]<sup>−</sup> and the U<sup>III</sup>/U<sup>III</sup> [(U(OAr)<sub>3</sub>)<sub>2</sub>(μ-O)]<sup>2−</sup> complexes. Coupling constant values, not yet measured experimentally, have been estimated for several complexes. These values are experimentally relevant since they can be compared to the values obtained by the so-called subtraction method, in which the local orbital momenta are in the end subtracted to derive the spin couplings. The Mayer and Nalewajski/Mrozek (NM) bond orders and the magnetic molecular orbital analyses reveal that the U(5f)─X(2p/3p)─U(5f) covalent contribution to the bonding within the U─X─U coordination is more important for the nitride U─N─U species complexes than for the oxide U─O─U and sulfide U─S─U congeners, thus strengthening the AF superexchange coupling between the two uranium magnetic centers in the nitride species. The special case of mixed-valence complexes exhibiting double exchange is discussed. In this case, we show that the same approach cannot be used to extract coupling constants, even if the high-spin character of the ground state is no doubt.</p>","PeriodicalId":38,"journal":{"name":"European Journal of Inorganic Chemistry","volume":"29 30","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149235501","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Griffin J. LaChapelle, James F. Britten, David J. H. Emslie
{"title":"Synthesis, Updated Characterization, and Reactivity of Low-Valent Titanocene Complexes","authors":"Griffin J. LaChapelle, James F. Britten, David J. H. Emslie","doi":"10.1002/ejic.70325","DOIUrl":"https://doi.org/10.1002/ejic.70325","url":null,"abstract":"<p>Updated syntheses and/or structural characterizations are provided for previously reported halotitanocene(III) complexes [{Cp<sub>2</sub>Ti(μ-X)}<sub>2</sub>] (X = Cl (<b>1</b>), Br (<b>2</b>), and I (<b>3</b>)), and THF-coordinated [Cp<sub>2</sub>Ti(μ-Cl)(THF)ZnCl(μ-Cl)<sub>2</sub>TiCp<sub>2</sub>] (<b>4</b>) was crystallographically characterized. Reactions of <b>1</b> with ClAlR<sub>2</sub> Lewis acids generated the heterobimetallic complexes [Cp<sub>2</sub>Ti(μ-Cl)<sub>2</sub>AlR<sub>2</sub>] (R = Cl (<b>5a</b>), Me (<b>5b</b>), Ph (<b>5c</b>), C<sub>6</sub>F<sub>5</sub> (<b>5d</b>)) and reactions of <b>1</b> with M[BAr<sub>4</sub>] (M = Na, K or Tl) salts in DME afforded the DME-coordinated cations [Cp<sub>2</sub>Ti(κ<sup>2</sup>-DME)][BAr<sub>4</sub>] (Ar = C<sub>6</sub>F<sub>5</sub> (<b>6a</b>), 3,5-C<sub>6</sub>H<sub>3</sub>(CF<sub>3</sub>)<sub>2</sub> (<b>6b</b>), 3,5-C<sub>6</sub>H<sub>3</sub>Cl<sub>2</sub> (<b>6c</b>)). Reaction of the titanacyclopropene [Cp<sub>2</sub>Ti(η<sup>2</sup>-C<sub>2</sub>(SiMe<sub>3</sub>)<sub>2</sub>)] with PhC<sub>2</sub>P<sup><i>i</i></sup>Pr<sub>2</sub> afforded the phosphine-containing titanacyclopropene complex [Cp<sub>2</sub>Ti(η<sup>2</sup>-PhC<sub>2</sub>P<sup><i>i</i></sup>Pr<sub>2</sub>)] (<b>7</b>), and the triisobutylaluminium adduct of this species, [Cp<sub>2</sub>Ti{η<sup>2</sup>-PhC<sub>2</sub>P<sup><i>i</i></sup>Pr<sub>2</sub>(Al<sup><i>i</i></sup>Bu<sub>3</sub>)}] (<b>8</b>), was crystallographically characterized. Addition of 2 equiv. of KC<sub>8</sub> to a solution of the zwitterionic titanocene(III) complex [Cp{η<sup>5</sup>:κ<sup>2</sup><i>F</i><sub>2</sub>-C<sub>5</sub>H<sub>4</sub>B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>}Ti] in THF yielded [K(THF)<sub>3</sub>][Cp{η<sup>5</sup>:κ<sup>1</sup><i>C</i>-C<sub>5</sub>H<sub>4</sub>B(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>(C<sub>6</sub>F<sub>4</sub>)}Ti(THF)] (<b>9</b>), likely resulting from 1-electron reduction to titanium(II) followed by C─F bond oxidative addition to form a titanium(IV) fluoride species, KF elimination, THF coordination, and a second 1-electron reduction to titanium(III).</p>","PeriodicalId":38,"journal":{"name":"European Journal of Inorganic Chemistry","volume":"29 30","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ejic.70325","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149235527","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Side-Group Engineering in Benzimidazole-Based Silver(I) Complexes: Crystal Structure, Band Composition, and Tunable Fluorescence Properties","authors":"Shihua Xu, Shixiong Li","doi":"10.1002/ejic.70324","DOIUrl":"https://doi.org/10.1002/ejic.70324","url":null,"abstract":"<p>Ligand side-groups modulate the excitation and emission of complexes by altering electron density. In this work, three monoclinic silver(I) complexes [Ag(<b>L</b><sub><b>1</b></sub>)<sub>2</sub>]NO<sub>3</sub> (<b>1</b>), [Ag(<b>L</b><sub><b>1</b></sub>)(<b>L</b><sub><b>2</b></sub>)]NO<sub>3</sub> (<b>2</b>), and [Ag(<b>L</b><sub><b>2</b></sub>)<sub>2</sub>]NO<sub>3</sub> (<b>3</b>) (where <b>L</b><sub><b>1</b></sub> = (1-methyl-1<i>H</i>-benzimidazol-2-yl)methanol and <b>L</b><sub><b>2</b></sub> = (1-ethyl-1<i>H</i>-benzimidazol-2-yl)methanol) characterized similar coordination environments of Ag(I) centers based on single-crystal X-ray diffraction. However, their solid-state fluorescence properties exhibited significant differences. Specifically, the emission peak of complex<b> 1</b> was redshifted by 141 nm relative to <b>L</b><sub><b>1</b></sub>, while the emission peak of complex <b>2</b> was redshifted by 94 nm relative to <b>L</b><sub><b>1</b></sub> but blueshifted by 71 nm relative to <b>L</b><sub><b>2</b></sub>. In contrast, complex <b>3</b> showed a blueshift of 93 nm compared to <b>L</b><sub><b>2</b></sub>. This opposite shift direction arises from whether the bandgap narrows (for <b>L</b><sub><b>1</b></sub>) or widens (for <b>L</b><sub><b>2</b></sub>) upon Ag(I) coordination, as governed by the interplay of electron-donating strength and steric hindrance of the side groups. These differences were primarily attributed to the fine-tuning of the electronic structures, intermolecular interactions, and excited-state charge distributions induced by the side-group of ligand. This finding indicates that ligand side groups not only influence the emission wavelength of the free ligands but also determine the trend of photophysical property changes upon complex formation.</p>","PeriodicalId":38,"journal":{"name":"European Journal of Inorganic Chemistry","volume":"29 29","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149125794","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Novel CuII and CrIII Triazole–Pyrazole Complexes: Synthesis, Structural Characterization, and Antibacterial Evaluation","authors":"Youssef Draoui, Abdessamad Benabbou, Oussama Khibech, Sabir Ouahhoud, Abdelaziz Ed-Dra, Rachid Touzani, Mariusz Wolff, Koen Robeyns, Yann Garcia, Smaail Radi","doi":"10.1002/ejic.70307","DOIUrl":"https://doi.org/10.1002/ejic.70307","url":null,"abstract":"<p>A bidentate ligand 1-methyl-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole (<b>L21</b>), and transition-metal complexes, [Cu(L21)<sub>2</sub>(NO<sub>3</sub>)<sub>2</sub>] (<b>1</b>) and [Cr<sub>2</sub>(L21)<sub>4</sub>(OH)<sub>2</sub>](NO<sub>3</sub>)<sub>4</sub> (<b>2</b>), were synthesized and characterized by single-crystal X-ray diffraction, FT-IR, UV–vis spectroscopy, and high-resolution mass spectrometry. Complex <b>1</b> contains a Cu<sup>II</sup> center located on an inversion center with chelating <b>L21</b> ligands in the equatorial plane and coordinated nitrate anions, while <b>2</b> is a dinuclear Cr<sup>III</sup> complex with a Cr···Cr separation of 2.998 Å, stabilized by bridging hydroxide ligands and counterbalanced by lattice nitrate anions. While <b>L21</b> showed negligible antibacterial activity, its coordination with metal centers led to a marked improvement. In assays against <i>E. coli</i>, <i>P. aeruginosa</i>, <i>S. aureus</i>, and <i>B. subtilis</i>, <b>2</b> exhibited inhibition zones ranging from 9.75 ± 0.92 to 10.25 ± 0.31 mm and a minimum inhibitory concentration of 2.5 mmol/L. Frontier orbital analysis revealed a higher electrophilicity index for <b>2</b> (<i>ω</i> = 50.19/48.95 eV) compared with <b>1</b> (<i>ω</i> = 2.92/7.26 eV), indicating a greater tendency to accept electron density, while Hirshfeld and noncovalent interaction analyses revealed a denser interaction network in <b>2</b>. Molecular docking against aquaporins, <i>S. aureus</i> phosphofructokinase, and human serum albumin revealed stronger predicted binding affinities for <b>2</b>. <b>L21</b> is a tunable scaffold for developing biologically active transition-metal complexes with antibacterial properties.</p>","PeriodicalId":38,"journal":{"name":"European Journal of Inorganic Chemistry","volume":"29 29","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149125922","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Manganese Metal-Organic Frameworks as Versatile Catalytic Platforms for Organic Transformations","authors":"Babita Poonia, Vinod Kumar","doi":"10.1002/ejic.70311","DOIUrl":"https://doi.org/10.1002/ejic.70311","url":null,"abstract":"<p>Metal-organic frameworks (MOFs), a distinguished class of crystalline porous materials, are composed of metal ions or clusters interconnected by organic linkers. MOFs are associated with different promising properties like high surface area, tunable pore structure, and significant chemical functionality that make them an attractive class of heterogeneous catalysts. The modular nature of MOFs allows for design control over their active sites within the catalytic framework. Among transition metals, manganese (Mn) has received significant attention for several reasons, including the existence of multiple accessible oxidation states (Mn<sup>2+</sup>, Mn<sup>3+</sup>, and Mn<sup>5+</sup>), high redox activity, modest toxicity, and low cost. These benefits allow Mn-MOFs to mediate a suitable host of organic transformations, such as oxidation, condensation, and multicomponent coupling reactions, under mild, green, and sustainable catalytic conditions. The combined features of the tunable structure common in MOFs and the flexible redox behavior led to enhanced catalytic performance, stability, and reusability of Mn-MOFs. This review describes the detailed catalytic applications and mechanistic aspects of Mn-MOFs for sustainable organic transformations developed over the past 15 years.</p>","PeriodicalId":38,"journal":{"name":"European Journal of Inorganic Chemistry","volume":"29 29","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149125847","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Molecular Packing of Group-10 Metal Complexes of a Thiophene-Fused Salophen Ligand Bearing a Wide π-Surface","authors":"Kotaro Kanazawa, Masaki Yamamura, Tatsuya Nabeshima","doi":"10.1002/ejic.70323","DOIUrl":"https://doi.org/10.1002/ejic.70323","url":null,"abstract":"<p>Naphthodithiophene-fused salophen ligands and their Zn(II), Ni(II), and Pd(II) complexes were synthesized to investigate the effect of π-surface extension on intermolecular self-assembly. Single-crystal X-ray diffraction revealed that the Group 10 complexes adopt highly planar molecular structures and form head-to-tail π-stacked dimers in the solid state, whereas the Zn(II) complex exhibits a distinct packing motif owing to its pentacoordinate geometry. Variable-concentration NMR and UV–vis absorption measurements demonstrated pronounced self-association of the Ni(II) and Pd(II) complexes in solution, affording dimerization equilibrium constants of 432 and 272 L mol<sup>−1</sup>, respectively. In contrast, the corresponding salophen complexes lacking the naphthodithiophene unit showed only weak self-association, indicating that extension of the π-conjugated surface markedly enhances intermolecular π–π interactions. Furthermore, introduction of bulky <i>tert</i>-butyl substituents effectively suppresses dimer formation through steric hindrance. These results demonstrate that fusion of a naphthodithiophene unit provides an efficient molecular design strategy for controlling the self-assembly behavior of square-planar salophen metal complexes.</p>","PeriodicalId":38,"journal":{"name":"European Journal of Inorganic Chemistry","volume":"29 29","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149125938","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Jingru Xu, Jiawei Zhao, Paipai Zhang, Juhui Cui, Hong Du, Minqiang Gai
{"title":"Potential Deep Ultraviolet Phosphate With Y-Based: 1[(PO3)4]∞ Chains AYP4O12(A = K, NH4) and the First [P3O10] Anionic Framework KLiYP3O10","authors":"Jingru Xu, Jiawei Zhao, Paipai Zhang, Juhui Cui, Hong Du, Minqiang Gai","doi":"10.1002/ejic.70318","DOIUrl":"https://doi.org/10.1002/ejic.70318","url":null,"abstract":"<p>Deep ultraviolet (DUV)optical materials represent a critical frontier in advanced optical material science. In this study, two new Y-based phosphates, KYP<sub>4</sub>O<sub>12</sub> and NH<sub>4</sub>YP<sub>4</sub>O<sub>12</sub>, were successfully synthesised via high-temperature solution reactions and conventional solid-state reactions, featuring one-dimensional (1D) <sup>1</sup>[(PO<sub>3</sub>)<sub>4</sub>]<sub>∞</sub> chain structures. Surprisingly, KLiYP<sub>3</sub>O<sub>10</sub> represents the first Y-based phosphate exhibiting a zero-dimensional [P<sub>3</sub>O<sub>10</sub>] polymer. The experimental cutoff edges of all three compounds are less than 200 nm, and the calculated bandgaps for HSEO6 were all >6.2 eV, demonstrating for the first time the potential of Y-based phosphates containing <sup>1</sup>[(PO<sub>3</sub>)<sub>4</sub>]<sub>∞</sub> chains as optical materials for DUV short wavelengths. First-principles calculations indicate that the P<span></span>O framework and [YO<sub>8</sub>] polyhedron are the primary contributors to the enhanced bandgap. We also conclude that the polymerisation degree of the Y-based phosphate anion framework is closely correlated with the P/O ratio. This work offers a reference framework and insights for subsequent exploration of DUV materials based on Y-Based phosphates with one-dimensional anionic groups.</p>","PeriodicalId":38,"journal":{"name":"European Journal of Inorganic Chemistry","volume":"29 29","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149125755","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Front Cover: Novel CuII and CrIII Triazole–Pyrazole Complexes: Synthesis, Structural Characterization, and Antibacterial Evaluation (Eur. J. Inorg. Chem. 29/2026)","authors":"Youssef Draoui, Abdessamad Benabbou, Oussama Khibech, Sabir Ouahhoud, Abdelaziz Ed-Dra, Rachid Touzani, Mariusz Wolff, Koen Robeyns, Yann Garcia, Smaail Radi","doi":"10.1002/ejic.70330","DOIUrl":"https://doi.org/10.1002/ejic.70330","url":null,"abstract":"<p><b>The Front Cover</b> illustrates the rational design of Cu<sup>II</sup> and dinuclear Cr<sup>III</sup> complexes derived from a pyrazolyl–triazole ligand. Their antibacterial activity aspect is highlighted alongside molecular docking, emphasizing strong protein–ligand interactions that support the superior biological performance of the Cr<sup>III</sup> complex. More information can be found in the Research Article by Y. Garcia, S. Radi and co-workers\u0000(DOI: 10.1002/ejic.70307).\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure></p>","PeriodicalId":38,"journal":{"name":"European Journal of Inorganic Chemistry","volume":"29 29","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ejic.70330","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149125848","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}