Amrutha PR, Kundu G, Ganesh VL
… +3 more, Gonnade RG, Gopakumar G, Sen SS
Dalton Trans
· 2026 Jun · PMID 42148963
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In this study, we describe the reactions of five- and six-membered saturated N-heterocyclic carbene boranes (NHC·BH) with electron-deficient alkenes and alkynes. Notably, both five- and six-membered saturated NHCs form b...In this study, we describe the reactions of five- and six-membered saturated N-heterocyclic carbene boranes (NHC·BH) with electron-deficient alkenes and alkynes. Notably, both five- and six-membered saturated NHCs form boriranes upon the reaction of NHC·BH with dimethyl acetylene dicarboxylate (DMAD). However, their reactivity with HCl differs: the five-membered saturated NHC-stabilized borirane undergoes ring opening in toluene/THF, whereas the six-membered saturated NHC-stabilized borirane undergoes ring expansion, forming exclusively a boralactone irrespective of solvent. Interestingly, when acetonitrile is used as a solvent, the five-membered saturated NHC-stabilized borirane yields both ring-opening and ring-expansion products. To remove the hydrogen attached to the boron atom in boriranes, we reacted the five-membered saturated NHC-stabilized borirane with AlCl and B(CF), resulting in azaborolium cation or adduct formation, respectively. Transitioning from an electron-deficient alkyne to an alkene, the reaction of six-membered saturated NHC·BH with tetracyanoethylene (TCNE) led to the unusual coupling of two TCNE molecules.
Sugimoto R, Odani Y, Imada S
… +1 more, Hosokawa S
Dalton Trans
· 2026 Jun · PMID 42148955
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Currently, most commercial environmental catalysts depend on large amounts of platinum-group metals (PGMs) to achieve high purification efficiency against environmental pollutants such as CO and NO. However, such catalys...Currently, most commercial environmental catalysts depend on large amounts of platinum-group metals (PGMs) to achieve high purification efficiency against environmental pollutants such as CO and NO. However, such catalysts are not readily available and have high cost, while PGMs exhibit significant price volatility. Toward the development of PGM-free environmental catalysts, we focus on the Mars-van Krevelen mechanism in which lattice oxygen constituting transition metal oxides participates in the catalytic reaction. This study demonstrates the contribution of the lattice oxygen constituting the SrTiCoO perovskite to the CO oxidation activity. The catalytic activity of SrTiCoO increased with increasing Co substitution and reached a maximum at = 0.2. By contrast, Co substitution at ≥ 0.4 resulted in decreased CO oxidation activity. H temperature-programmed reduction and X-ray diffraction (XRD) under a H atmosphere suggested that the catalytic activity of SrTiCoO corresponded well with the lattice oxygen release behavior; that is, among the SrTiCoO samples, Ti-rich SrTiCoO released lattice oxygen at the lowest temperature under the H atmosphere. As the amount of substituted Co increased, the lattice oxygen release temperature increased, indicating that the Co-O-Ti bond was more reactive than the Co-O-Co bond. The states of the lattice oxygen in SrTiCoO were investigated in detail through synchrotron XRD and O K-edge X-ray absorption spectroscopy. Notably, in the samples with ≥ 0.4, which had a large number of Co-O-Co bonds, partial electron donation from lattice oxygen to Co species occurred, suggesting the strengthening of the Co-O-Co bonds. These results indicate that lattice oxygen, which forms relatively weak Co-O-Ti bonds in SrTiCoO, acts as an effective active site for CO oxidation, providing valuable guidance for the rational design of PGM-free oxide catalysts.
Lee DN, Son S, Gwon K
… +4 more, Kim Y, Kim SJ, Choi S, Shin JH
Dalton Trans
· 2026 Jun · PMID 42148954
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Nitric oxide (NO) is a small gaseous molecule whose controlled storage and release depend sensitively on host-guest interactions within porous materials. Herein, we report two structurally related copper-based metal-orga...Nitric oxide (NO) is a small gaseous molecule whose controlled storage and release depend sensitively on host-guest interactions within porous materials. Herein, we report two structurally related copper-based metal-organic frameworks (Cu-MOFs) incorporating vinyl (-CC-) and azo (-NN-) bipyridyl linkers, and investigate their NO storage and release behavior. Single-crystal X-ray diffraction analysis shows that NO molecules are reversibly accommodated within the pore channels through weak host-guest interactions, potentially involving non-classical hydrogen bonding, rather than direct coordination to the copper centers. Chemiluminescence measurements reveal that the vinyl-functionalized framework exhibits higher NO uptake with rapid release, whereas the azo-functionalized analogue displays lower uptake but more sustained release kinetics. Importantly, these results indicate that subtle variations in linker electronic structure correlate with differences in gas binding and release behavior, providing insight into linker-dependent control of gas-framework interactions.
Bykusov V, Kuzmichev I, Stepanov M
… +18 more, Bunin D, Luponosov Y, Isaeva Y, Trul A, Akasov R, Egorova T, Erofeev A, Kuanaeva R, Maksimova Y, Abakumov M, Nikitin A, Kuzmin V, Egorov A, Burtsev I, Rodin IA, Vokuev MF, Beloglazkina E, Krasnovskaya O
Dalton Trans
· 2026 Jun · PMID 42148917
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The design of multifunctional theranostic nanomaterials, including the application of J-aggregates as photothermal (PTT) and photodynamic (PDT) therapy agents, is in high demand. Here, we report J-aggregates based on two...The design of multifunctional theranostic nanomaterials, including the application of J-aggregates as photothermal (PTT) and photodynamic (PDT) therapy agents, is in high demand. Here, we report J-aggregates based on two photoactivatable Pt(IV) prodrugs NO2-Pt and C6F5-Pt with acceptor BODIPYs in the axial position with the A-A-D structure, capable of photoinduced cisplatin release in addition to PDT and PTT activity. Fluorophores showed aggregation polymorphism depending on the solvent used; non-fluorescent CT-coupled J-aggregates with a small bathochromic shift and fluorescent slip-stacked J-aggregates with a high bathochromic shift were isolated and characterized.These data represent an important study of the influence of the fluorophore structure on the photophysical properties of J-aggregates and demonstrate the possibility of designing theranostic agents based on photoactivated Pt(IV) prodrugs.
Fals J, Ospina-Castro ML, Barragán-Avilez C
… +5 more, Valle-Molinares R, Mendoza D, Guerrero JD, Bocanegra S, Espitia-Almeida F
Dalton Trans
· 2026 Jun · PMID 42148910
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In this study, four FCC catalysts were synthesized by varying both the zeolite Y content (30 wt% and 40 wt%) and the degree of structural modification through alkaline desilication, aiming to evaluate their resistance to...In this study, four FCC catalysts were synthesized by varying both the zeolite Y content (30 wt% and 40 wt%) and the degree of structural modification through alkaline desilication, aiming to evaluate their resistance to nitrogen-induced catalytic deactivation during the cracking of Colombian vacuum gas oil (VGO). The generation of hierarchical zeolites with intracrystalline mesoporosity enabled their subsequent incorporation into catalyst formulations with different active phase loadings. To simulate severe deactivation conditions, quinoline and indole were added to the VGO as model ni-trogen-containing compounds with distinct basicity. Catalytic performance was assessed in a fixed-bed MAT reactor, analyzing conversion, product distribution and quality, coke deposition, as well as the evolution of textural and acidic properties. The results revealed a synergistic effect between zeolite hierarchization and its loading in the catalyst, leading to enhanced nitrogen tolerance, improved structural stability, and increased resistance to coke-induced deactivation. Specifically, systems containing hierarchical zeolite with higher active phase content exhibited better preservation of Brønsted acidity and reduced coke formation, underscoring the importance of multiscale pore design in mitigating inhibitory effects from nitrogen species. This study provides experimental evidence of the critical role of intracrystalline mesoporosity and zeolite content in determining FCC catalyst performance under severe chemical deactivation scenariosstract text goes here.
Dalton Trans
· 2026 Jun · PMID 42132889
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The reactivity and coordination behavior of several -heterocyclic silylenes RNHSi (R = Bu, Mes, Dipp) with respect to group 6 transition metal acetonitrile carbonyl complexes -[M(CO)(MeCN)] (M = Cr, Mo) are reported. The...The reactivity and coordination behavior of several -heterocyclic silylenes RNHSi (R = Bu, Mes, Dipp) with respect to group 6 transition metal acetonitrile carbonyl complexes -[M(CO)(MeCN)] (M = Cr, Mo) are reported. The first examples of threefold NHSi substituted chromium(0) and molybdenum(0) carbonyl complexes, -[Cr(CO)(BuNHSi)] (1), -[Mo(CO)(BuNHSi)] (2), and -[Mo(CO)(MesNHSi)] (3), were isolated from the reactions of -[M(CO)(CHCN)] (M = Cr, Mo) with three equivalents of BuNHSi or MesNHSi. The NHSi ligands adopt meridional arrangements in these octahedral complexes in solution and in the solid state, which contrasts with the related NHC complexes that adopt facial geometries. The reaction of -[Cr(CO)(MeCN)] with MesNHSi led to the substitution of only two acetonitrile ligands to yield -[Cr(CO)(MesNHSi)(MeCN)] 4, as did the reaction of -[Mo(CO)(MeCN)] with DippNHSi to give -[Mo(CO)(DippNHSi)(MeCN)] 5. Thus, the steric bulk of the silylenes MesNHSi (for Cr) and DippNHSi (for Mo) can be regarded as steric limits for a threefold substitution. The remaining acetonitrile ligand of 4 is prone to further substitution, as was demonstrated with the reaction of 4 with pyridine (= py), dimethylamino-pyridine (= DMAP), -butyl cyanide (= CN-Bu), and 1,3,4,5-tetramethyl-imidazolin-2-ylidene (= IMe), which led to the formation of the complexes -[Cr(CO)(MesNHSi)(py)] 6, -[Cr(CO)(MesNHSi)(DMAP)] 7, -[Cr(CO)(MesNHSi)(CN-Bu)] 8, and -[Cr(CO)(MesNHSi)(IMe)] 9. In these complexes, the NHSi ligands are located in positions.
Liao C, Liu T, Chang H
… +5 more, Li Y, Lu J, Zhang D, Wen T, Jiang Z
Dalton Trans
· 2026 May · PMID 42132888
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A bimetallic sulfide, specifically FeCoS@FeCoS, was synthesized through doping and sulfidation calcination using Co(II)-based metal-organic frameworks (MOFs), demonstrating excellent oxygen evolution reaction (OER) catal...A bimetallic sulfide, specifically FeCoS@FeCoS, was synthesized through doping and sulfidation calcination using Co(II)-based metal-organic frameworks (MOFs), demonstrating excellent oxygen evolution reaction (OER) catalytic activity attributed to the synergistic interaction between Fe(III) and Co(II) in the two-component sulfide nanostructure.
Dalton Trans
· 2026 Jun · PMID 42132876
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BaFBr:Eu monodisperse nanocrystals were synthesized solution-phase thermolysis of metal bromodifluoroacetates. Their luminescence response was characterized between 80 and 430 K. Nanocrystals exhibited square-plate shap...BaFBr:Eu monodisperse nanocrystals were synthesized solution-phase thermolysis of metal bromodifluoroacetates. Their luminescence response was characterized between 80 and 430 K. Nanocrystals exhibited square-plate shape with approximate dimensions 33 nm × 5 nm and polydispersities below 8% in both dimensions. The emission spectrum of BaFBr:Eu featured a broad band in the near UV arising from fd-f transitions of Eu as well as a series of line-like bands from f-f transitions of Eu. No line emission from the 4f (P) level of Eu was observed. The structure and dynamics of the excited states involved in Eu violet emission were established from the temperature dependence of their time-resolved decays. The lifetime of the 4f5d excited-state manifold exhibited antithermal quenching between 80 and 430 K. This observation could not be rationalized invoking thermalization of the lowest level of the 4f5d manifold to the higher-lying 4f (P) level. A satisfactory explanation was achieved considering thermal coupling between the lowest level of the 4f5d manifold and a higher-lying 4f5d level. The latter featured a smaller radiative rate than the former (≈10 10 s) and the gap between these two levels was estimated to be ≈500 cm. The 4f (P) level was located ≈100 cm above the higher-lying 4f5d level and, unlike the case of BaFCl, did not need to be invoked at all to rationalize the temperature dependence of Eu emission.
Tiburcio MA, Cali MP, Pereira LMB
… +5 more, Graminha AE, Atienza-Navarro I, Vendruscolo M, Garcia-Alloza M, Carlos RM
Dalton Trans
· 2026 Jun · PMID 42132855
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Amyloid deposits of amyloid-β (Aβ) and hyperphosphorylated tau are pathological hallmarks of Alzheimer's disease (AD), which accounts for most dementia cases worldwide. This study investigates the effect of the complex [...Amyloid deposits of amyloid-β (Aβ) and hyperphosphorylated tau are pathological hallmarks of Alzheimer's disease (AD), which accounts for most dementia cases worldwide. This study investigates the effect of the complex [Ru(phen)(pNDIp)] (RuNDI; phen = 1,10-phenanthroline, pNDIp = ,'-di(1,10-phenanthroline)-1,4,5,8-naphthalenetetracarboxylic diimide) on Aβ aggregation and . , RuNDI markedly attenuated Aβ aggregation, as shown by nephelometry, circular dichroism, and transmission electron microscopy, by suppressing β-sheet formation and promoting amorphous assemblies. , immunofluorescence analysis using Thioflavin-S and the 4G8 antibody in transgenic APP/PS1 mice treated with RuNDI (0.1 mg kg day, intraperitoneally, for 10 weeks) revealed that, while RuNDI did not affect the size of existing amyloid plaques, it significantly decreased plaque density and burden in the cortex and hippocampus of treated mice. These findings suggest that RuNDI interferes with Aβ aggregation and may be further investigated for modifying plaque pathology.
Siyahjani-Gültekin Ş, Öztürmen BA, Şahin D
… +4 more, Yilmaz G, Ercan BT, Gültekin B, Biyiklioglu Z
Dalton Trans
· 2026 Jun · PMID 42132826
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This work investigates how the substituent position governs the structure-performance relationship of copper phthalocyanine (CuPc) derivatives used as supercapacitor electrodes. Two positional isomers bearing the same (3...This work investigates how the substituent position governs the structure-performance relationship of copper phthalocyanine (CuPc) derivatives used as supercapacitor electrodes. Two positional isomers bearing the same (3,4,5-trimethoxybenzyl)oxy substituent, namely the peripheral derivative (TMe-Cu) and the non-peripheral derivative (n-TMe-Cu), were synthesized and characterized by spectroscopic and structural techniques. Electrochemical evaluation in 1 M HSO using cyclic voltammetry, galvanostatic charge-discharge, electrochemical impedance spectroscopy, and scan-rate-dependent kinetic analyses revealed a pronounced performance advantage for n-TMe-Cu, which delivered a specific capacitance of up to 360 F g at 1 A g and retained 80% of its initial capacitance after 5000 cycles. Dunn analysis showed that n-TMe-Cu exhibits a substantially higher surface-controlled contribution than TMe-Cu, indicating that a larger fraction of charge storage proceeds through rapidly accessible interfacial pathways. In conjunction with the observed morphological differences between the two electrodes, these results suggest that non-peripheral substitution promotes a more electrochemically accessible electrode architecture and more favourable charge-storage kinetics. Overall, this study demonstrates that substituent geometry is a key molecular design parameter for regulating electrochemical utilization and rate performance in CuPc-based organic electrode materials.
Sakomizu H, Shim J, Nishizawa S
… +6 more, Tsukamoto S, Okuno Y, Yoshizawa A, Yamamoto E, Nakayama A, Tokunaga M
Dalton Trans
· 2026 Jun · PMID 42132808
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Xantphos-type ligands enabled the highly linear-selective hydroformylation of allyl alcohol and related alkenes under mild conditions with RhH(CO)(PPh). The product, 4-hydroxybutanal, is widely used as an industrial solv...Xantphos-type ligands enabled the highly linear-selective hydroformylation of allyl alcohol and related alkenes under mild conditions with RhH(CO)(PPh). The product, 4-hydroxybutanal, is widely used as an industrial solvent and polymer precursor, and serves as an industrial intermediate in the production of 1,4-butanediol, γ-butyrolactone, and -methyl-2-pyrrolidone. Six ligands with different combinations of the Xantphos backbone and substituents on the benzene ring were compared. A 3,5-xylyl-substituted ligand displayed particularly high regioselectivity toward linear products. Density functional theory calculations clarified that this preference arises from a lower activation barrier for 1,2-insertion compared to 2,1-insertion.
Guo S, Yang W, Feng S
… +7 more, Dou J, Lin T, Zheng Y, Jiang Y, Yang J, Liu W, Lin J
Dalton Trans
· 2026 May · PMID 42132806
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A europium-based metal-organic framework (), constructed from rigid trinuclear Eu clusters and 2,6-naphthalenedicarboxylate linkers, functions as an efficient X-ray scintillator with intense red radioluminescence. It exh...A europium-based metal-organic framework (), constructed from rigid trinuclear Eu clusters and 2,6-naphthalenedicarboxylate linkers, functions as an efficient X-ray scintillator with intense red radioluminescence. It exhibits an ultralow detection limit of 4.6 μGy s, a light yield of 16 546 photons per MeV, and enables flexible scintillation films for high-resolution X-ray imaging.
Saha A, Maity R, Dhara G
… +5 more, Brandao P, Pattanayak S, Maity T, Sarkar K, Samanta BC
Dalton Trans
· 2026 Jun · PMID 42132805
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The current study reports the synthesis, structural interpretation, biomolecular interaction, and antifungal appraisal of a Ni(II) Schiff base complex demonstrating effective activity against The complex, formulated as...The current study reports the synthesis, structural interpretation, biomolecular interaction, and antifungal appraisal of a Ni(II) Schiff base complex demonstrating effective activity against The complex, formulated as [Ni(L)], features a NiNO coordination environment and was synthesized using the ligand L, [4-bromo-2-((3-(methylamino)propylimino)methyl)phenol], derived from the condensation of 5-bromo-2-hydroxybenzaldehyde with -methylpropane-1,3-diamine, followed by complexation with nickel(II) chloride in methanol. The complex was comprehensively characterized by FTIR, H NMR, ESI-MS, and single-crystal X-ray diffraction analyses. Crystallographic studies reveal that the complex crystallizes in a monoclinic system with a slightly distorted octahedral geometry around the Ni(II) center. UV-Vis and fluorescence spectroscopic investigations indicate strong CT-DNA binding a groove mode of binding and static quenching interactions with bovine serum albumin (BSA). Moreover, ADMET analysis predicts favourable pharmacokinetic properties, validating the experimental findings that reveal prominent antifungal efficiency of the complex against fluconazole-resistant . Besides, the findings with experimental cytotoxicity evaluation using a mammalian cell model (HEK-293T), provide direct biological evidence of biocompatibility at functionally relevant concentrations. This experimental validation strengthens the overall safety assessment and mitigates the uncertainty associated with computational ADMET analysis for coordination compounds.
Dalton Trans
· 2026 Jun · PMID 42132798
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Polyoxometalates (POMs) represent well-defined molecular models for metal oxide nanoparticles and provide valuable insight into their interactions with biomolecules. Here, we investigate the interaction of Keggin-type ph...Polyoxometalates (POMs) represent well-defined molecular models for metal oxide nanoparticles and provide valuable insight into their interactions with biomolecules. Here, we investigate the interaction of Keggin-type phosphotungstic (HPWO) and silicotungstic (HSiWO) acids with RNA-derived nucleosides cytidine and guanosine, showing for the first time that these POMs can act as catalysts for the deglycosylation of nucleosides and provide a possible molecular mechanism that facilitates this process. These systems provide useful molecular-level models for metal oxide nanoparticle-biomolecule interactions and potential RNA deglycosylation pathways. Six crystalline complexes were obtained and structurally characterized by single-crystal X-ray diffraction, revealing extensive hydrogen bonding networks and pronounced interactions between nucleobases and the POM surfaces associated with charge transfer. In several cases, catalytic deglycosylation of nucleosides occurred during crystallization, yielding nucleobase-POM complexes and providing direct structural evidence of nucleoside cleavage. Complementary solution studies performed by H NMR demonstrated rapid and selective catalytic deglycosylation of guanosine by silicotungstate under acidic near-boiling conditions, following apparent first-order kinetics ( = 0.399 min), whereas cytidine reacted rather slowly, yielding only trace amounts of cytosine complexes. Phosphotungstate anions revealed analogous but slower reactivity. Control experiments showed no comparable catalytic activity for TiO nanoparticle models (TiBALDH) under identical conditions. The results highlight pronounced differences in reactivity between purine and pyrimidine nucleosides and emphasize the role of charge-transfer and hydrogen-bonding interactions in POM-mediated catalysis. These findings provide molecular-level insight into metal oxide-biomolecule interactions and support the use of POMs as tunable models for understanding potential RNA degradation pathways induced by metal oxide nanoparticles.
Dalton Trans
· 2026 Jun · PMID 42132793
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In this study, three new Ni(II) complexes, namely, [Ni(CHClNO)(CHN)]·HO·2CHOH (C1), [Ni(CHClNO)]·3HO·CHOH (C2), and [Ni(CHClNO)(CHN)]·1.5HO (C3), were synthesized using chlorinated Schiff base ligands derived from the co...In this study, three new Ni(II) complexes, namely, [Ni(CHClNO)(CHN)]·HO·2CHOH (C1), [Ni(CHClNO)]·3HO·CHOH (C2), and [Ni(CHClNO)(CHN)]·1.5HO (C3), were synthesized using chlorinated Schiff base ligands derived from the condensation of 3,5-dichlorosalicylaldehyde with L/D-phenylalanine, combined with Ni ions and 2,2'-bipyridine as a co-ligand (for C1 and C3). All complexes C1-C3 were characterized by single-crystal X-ray diffraction and elemental analysis. This study systematically investigates the influence of co-ligands (2,2'-bipyridine solvent molecules) and amino acid configurations (L-D-phenylalanine) on the structural stability and urease inhibitory activity of the complexes. urease inhibitory assays showed that C1 exhibited the most potent activity (IC = 10.68 ± 0.09 μM), which significantly surpassed the positive control AHA (IC = 27.73 ± 0.33 μM), followed by C3 (IC = 15.49 ± 0.29 μM) and C2 (IC = 36.49 ± 0.13 μM). Molecular docking indicated that C1 binds to the urease active pocket stably hydrogen bonding with HIS593 and hydrophobic interactions with ARG439/ALA440. DFT calculations revealed that the carboxyl oxygen atoms of C1 are potential electrophilic attack sites, while pyridine ring regions are prone to nucleophilic attacks. Structure-activity relationship (SAR) analysis suggested that the L-phenylalanine fragment and 2,2'-bipyridine co-ligand are crucial for enhancing urease inhibitory activity. These findings provide valuable insights for the development of novel Schiff base metal complexes as potent urease inhibitors.
Zhou J, Tong B, Zhong Z
… +5 more, Duan A, Ai Y, Zhou L, Wei Z, Cai H
Dalton Trans
· 2026 May · PMID 42132768
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A novel zero-dimensional (0D) germanium-based organic-inorganic hybrid material, (CHN)GeCl, was synthesized a simple solution method. In the low-temperature phase, this compound crystallizes in the noncentrosymmetric sp...A novel zero-dimensional (0D) germanium-based organic-inorganic hybrid material, (CHN)GeCl, was synthesized a simple solution method. In the low-temperature phase, this compound crystallizes in the noncentrosymmetric space group (6). The material undergoes a first-order reversible phase transition at 357 K/321 K and exhibits thermally induced reversible "on-off" SHG switching characteristics along with switchable dielectric behavior, as well as a direct band gap of 2.76 eV. This provides a new approach for the development of nonlinear optical switches, dielectric switching devices, and ultraviolet photodetectors.
Dalton Trans
· 2026 May · PMID 42132697
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Correction for 'A flexible sensor based on a multilayer polymer/AgNW composite film for temperature and strain sensing' by Wenjing Ruan , , 2026, , 7287-7299, https://doi.org/10.1039/D6DT00534A.Correction for 'A flexible sensor based on a multilayer polymer/AgNW composite film for temperature and strain sensing' by Wenjing Ruan , , 2026, , 7287-7299, https://doi.org/10.1039/D6DT00534A.
Khlifi H, Wannassi J, Mhadhbi N
… +7 more, Wahbi H, Erwann J, Ben Hamadi N, Guesmi A, Khezami L, Barhoumi H, Naïli H
Dalton Trans
· 2026 Jun · PMID 42132691
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A new one-dimensional (1D) copper(II) halometalate, [Cu(κ-Cl)(η-4-I-Pz)] (4-I-Pz = 4-iodopyrazole), was synthesized a Schlenk method and structurally characterized by single-crystal X-ray diffraction. The compound consi...A new one-dimensional (1D) copper(II) halometalate, [Cu(κ-Cl)(η-4-I-Pz)] (4-I-Pz = 4-iodopyrazole), was synthesized a Schlenk method and structurally characterized by single-crystal X-ray diffraction. The compound consists of infinite Cu-Cl-Cu chains featuring Jahn-Teller-distorted Cu(II) centers in elongated octahedral environments. The 1D architecture is reinforced by synergistic I⋯I and I⋯Cl halogen interactions together with π-π stacking, generating a robust supramolecular framework. Diffuse reflectance spectroscopy combined with Kubelka-Munk and Tauc analyses reveals an indirect optical band gap of 2.23 eV and a noticeable Urbach tail, highlighting the influence of structural anisotropy on its electronic properties. Optical investigations further evidence ligand-to-metal charge transfer and characteristic Cu(II) d-d transitions. When employed as a glassy carbon electrode modifier, the material exhibits excellent electrocatalytic activity toward dopamine oxidation, delivering a low detection limit of 0.01 μM, two linear ranges (0.01-1 and 1-10 μM), high selectivity, and recovery values of 96.7-102% in human serum. These findings establish a clear structure-property-function relationship and demonstrate the potential of 1D copper halometalates as multifunctional materials for optoelectronic and electrochemical sensing applications.
Mandal S, Song EY, Emge TJ
… +2 more, Hasanayn F, Goldman AS
Dalton Trans
· 2026 May · PMID 42132686
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Reduction of the pincer complex (PNP)MoBr using Na/Hg under argon yields a quadruply bonded Mo-Mo dimer, (κ-PNP)BrMoMo(κ-PNP)Br. The complex represents a rare example of a metal-metal bonded species in which both metal...Reduction of the pincer complex (PNP)MoBr using Na/Hg under argon yields a quadruply bonded Mo-Mo dimer, (κ-PNP)BrMoMo(κ-PNP)Br. The complex represents a rare example of a metal-metal bonded species in which both metal centers bear a κ- coordinated pincer ligand.
Dalton Trans
· 2026 May · PMID 42132671
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Full text
1,1,1,2-Tetrafluoroethane (HFC-134a), the most commonly used 3 generation refrigerant, reacts with lithium phosphide reagents through selective defluorophosphination of the single C(sp)-F bond to yield diphenyl(2,2,2-tri...1,1,1,2-Tetrafluoroethane (HFC-134a), the most commonly used 3 generation refrigerant, reacts with lithium phosphide reagents through selective defluorophosphination of the single C(sp)-F bond to yield diphenyl(2,2,2-trifluoroethyl)phosphane. DFT calculations were used to rationalise the most likely pathways and origin of selectivity. The new phosphane was demonstrated as a ligand for transition metals and its electronic and steric properties compared to structurally similar analogues.