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Synthesis and characterization of an Fe(I) cage complex with high stability towards strong H-acids
Chemical Communications. 2018. No. 28. P. 3436–3439.
Roitershtein D., Voloshin Y., Novikov V., Nelyubina Y., Belov A., Savitsky A., Mokhir A., Sutter J., Miehlich M., Meyer K.
The first synthesized and X-ray structurally characterized ‘‘classical’’ iron(I) dioximate showed an unrivaled stability towards strong acids, thus calling for a reassessment of the origins of the electrocatalytic activity of similar low-valent cobalt and iron cage complexes with electron-withdrawing ribbed substituents, shown previously to be effective electrocatalysts of the HER
Makarov D. M., Kalikin N., Fashchevsky K. A. et al., Electrochimica Acta 2026 Vol. 579 Article 150159
Machine learning (ML) has become a powerful tool for accelerating the development of carbon-based supercapacitors;
however, most published models assume that a single predictive framework can describe both conventional
porous carbons and hybrid carbon electrodes. Here, we test this assumption using a comprehensive
benchmark dataset and an extended literature-curated dataset enriched with synthesis- and electrolyte-related
descriptors. Three ML algorithms ...
Added: October 13, 2026
Shi R., Yu Y., Chibisov A., International Journal of Hydrogen Energy 2025 Vol. 107 P. 52–62
Cyanide containing wastewater can cause livestock death and reduce agricultural production and electrochemical reduction of cyanide (CNRR) is a promising way to eliminate its harm and turn waste into valuable products. However, the reaction mechanism and function of electrocatalysts for CNRR have not been fully understood yet. Herein we identify a two-dimensional (2D) conductive copper-organic ...
Added: October 11, 2026
Zhukov A., Chen F., Zeng Y. et al., Nanoscale 2026 Vol. 18 No. 36 P. 19223–19253
Colloidal semiconductor nanocrystals have emerged as promising materials for next-generation light-emitting diodes (LEDs) owing to their solution processability, tunable emission wavelengths, narrow emission linewidths, and high photoluminescence quantum yields. Among them, anisotropic nanocrystals, including one-dimensional nanorods (NRs) and two-dimensional nanoplatelets (NPLs), offer additional opportunities for controlling transition dipole moment orientation and light out-coupling efficiency. These ...
Added: October 2, 2026
Мальцева В. Е., Ananyev I., Milevskii N. et al., Molecular Systems Design and Engineering 2026 Vol. 11 No. 7 P. 691–704
The use of hydrophobic deep eutectic solvents (DESs) as extractants for metal ion separation is largely due to the ease of their preparation and the possibility of modifying them depending on the composition of the metal mixture to be separated. However, the most common approach to DES modification involves the replacement of the extractant, while ...
Added: October 2, 2026
Мальцева В. Е., Ananyev I., Golubev A. V. et al., Russian Journal of Inorganic Chemistry 2026 Vol. 71 P. 724–736
Two voluminous polymer silver(I) salts of perchlorinated dodecoborate clusters, {[(Me2CO)Ag(μ-Me2CO)2Ag(Me2CO)][μ-B12Cl12]}n (1) and {[DMFAg(μ-DMF)2AgDMF][μ-B12Cl12]}n (2) were synthesized. The 35Cl nuclear quadrupole resonance (NQR) spectroscopy supplemented with the X-ray diffraction data was applied for identifying and analyzing noncovalent interactions Cl···X in these salts. Whereas in X-ray diffraction, noncovalent interactions are associated with the presence of the shortened ...
Added: October 2, 2026
Мальцева В. Е., Rozhkov A., Ananyev I. et al., Inorganic Chemistry 2026 Vol. 65 No. 22 P. 12484–12496
Despite the well-established importance of chalcogen bonding in crystal engineering and supramolecular chemistry, experimental charge density data for TeII-centered chalcogen bonds have remained entirely absent, leaving the electronic nature of these interactions uncharacterized at the level of directly measured electron density. Here, we report the first high-resolution X-ray diffraction (HRXRD) study of TeII-centered chalcogen bonds, ...
Added: October 2, 2026
Ostovari Moghaddam A., Mehrabi-Kalajahi S., Solizoda I. A. et al., Metals and Materials International 2026 P. 1–9
Off-stoichiometric boron-doped chemically complex intermetallic alloys (CCIMAs) have recently emerged as a new avenue for overcoming the low temperature brittleness of ordered superlattices. However, their behavior at high temperatures remains unexplored. In this study, a novel (Ni39.6Co29.3Cr10Al15.8Ta3.3Nb2)98.5B1.5 CCIMA was prepared and its oxidation resistance over a wide temperature range (500 °C–950 °C) was studied. The ...
Added: October 1, 2026
Kashpurovich I., Oleynichenko A., Stegailov V., Supercomputing Frontiers and Innovations 2026 Vol. 13 No. 1 P. 52–73
We report a high-performance implementation of the resolution-of-the-identity Hartree–Fock method that fully exploits the permutational symmetry of three-center electron repulsion integrals (ERI). The present implementation adopts a hybrid MPI+OpenMP parallelization strategy. Two different algorithmic approaches (with and without the pre-transformation of ERIs) are compared. A custom data layout introduced previously is employed. Designed to efficiently ...
Added: September 28, 2026
Li Y., Han J., Zaman N. et al., ACS Applied Materials & Interfaces 2026 Vol. 18 No. 39 P. 54241–54251
The development of lead sulfide (PbS) quantum dot (QD) photodetectors for short-wave infrared (SWIR) applications has been fundamentally limited by the thermodynamic instability of large PbS QD facets, which leads to aggregation and epitaxial fusion. In this work, robust thermodynamic stabilization was achieved by introducing methylammonium chloride (MACl) in PbS QD surface passivation, as validated ...
Added: September 26, 2026
Гущина В. А., / Series chemrxiv-2023-vpzhz-v2 "ChemRxiv". 2023.
All-inorganic perovskite CsPbBr3 and Cs4PbBr6 nanoparticles are being intensively studied due to their unique properties and wide range of applications; however, however, the nature of their optical properties is not yet fully understood due to the difficulty of synthesis of singlephase nanoparticles. In this article we describe the features of the synthesis of single-phase particles ...
Added: May 14, 2026
Pilé I., Deng Y., Shchur L., / Series arXiv "math". 2026. No. 2604.10254.
We investigate the spatial overlap of successive spin configurations in Markov chain Monte Carlo simulations using the local Metropolis algorithm and the Svendsen-Wang and Wolff cluster algorithms. We examine the dynamics of these algorithms for two models in different universality classes: the Ising model and the Potts model with three components. The overlap of two ...
Added: April 20, 2026
Daniil A. Bardonov, Minyaev M. E., Puntus L. et al., MolBank 2025 Vol. 2025 No. 4 Article M2102
A new bis(cyclopentadienyl) terbium(III) complex with 1,2,4-triphenylcyclopentadienyl and 4,4,4-trifluoro-1-phenylbutane-1,3-dionate ligands was synthesized. Single-crystal X-ray analysis revealed a mononuclear bis(cyclopentadienyl) complex with a diketonate ligand in the bisector plane. The compound under study exhibits a ligand ligand charge transfer state (LLCT), according to optical spectroscopy and crystallographic data. ...
Added: February 19, 2026
Degtyareva S.S., Minyaev M. E., Nifantiev I. et al., Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya 2025 Vol. 51 No. 10 P. 878–885
Specific features of the structures of five various complexes [Y(Me3tach)Cl3(THF)2] (I), [Y(Me3tach)2Cl3] (II), [Y(Me3tach)Cl2(μ-Cl)2YCl2(THF)3] (III), [Y(Me3tach)Cl3(THF)]2 (IV), and [Y(Me3tach)2Cl2]+[Y(Me3tach)Cl4]– (V) formed via the reaction of yttrium chloride tetrahydrofuranate with 1,3,5-trimethyl-1,3,5-triazacyclohexane (Me3tach) are compared. The molecular structures of newly synthesized complexes IV and V are determined by X-ray diffraction (XRD) (CIF files CCDC nos. 2484944 and 2484945, respectively). All complexes, except for ...
Added: February 19, 2026
Dmitrieva V. A., Fedorov F. S., Chetyrkina M. R. et al., Journal of Analysis and Testing 2025 Vol. 9 P. 399–404
Carbon nanotube fibers (CNTFs) fabricated using a novel “wet-pulling” technique were evaluated for electrochemical detection of dopamine (DA). To enhance the sensitivity, we employed an electrochemical oxidation pretreatment and twisting of CNTFs and investigated the performance by cyclic voltammetry (CV) and chronoamperometry (CA). The synergetic effect of twisting and pre-oxidation boosted the sensitivity of modified ...
Added: February 10, 2026
Bovkunova A., Bazhina E., Shmelev M. et al., Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya 2025 Vol. 51 No. 6 P. 472–487
The reaction of manganese(II) chloride with the azomethine ligand 4-((1H-pyrrol-2-yl)methylene-amino)-4H-1,2,4-triazole (HPyrtrz) affords crystals of 1D polymeric compound [MnII(HPyrtrz)(H2 O)Cl2]n (I). The addition of the coligand 1,10-phenanthroline (Phen) to the synthesis of compound I results in the sequential crystallization of two products: 1D polymeric compound [MnII(Phen)Cl2]n (II) and mononuclear complex [MnII(Phen)2Cl2]·HPyrtrz (III). Complex III is isolated ...
Added: February 10, 2026
D. A. Bardonov, K. A. Lysenko, I. E. Nifantiev et al., Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya 2025 Vol. 51 No. 3 P. 211– 217
in the presence of 1,3,5-trimethyl-1,3,5-triazacyclohexane (Me3tach) gives complexes of the
type [Cp'Y(Me3tach)Cl2] (Cp' = Ph2C5H3 (CpPh2) (I), Ph3C5H2 (CpPh3) (II), Ph4C5H (CpPh4) (III). The
molecular structure of complexes I–III was established by X-ray diffraction (CCDC nos. 2406644 (I),
2406645 (II), 2406646 (III)). The main structural parameters of all of the obtained monocyclopentadienyl
complexes were similar, irrespective of the number ...
Added: November 9, 2025
Тарасюк И. А., Филиппов Д. В., Vashurin A., Журнал общей химии 2023 Т. 93 № 9 С. 1439–1444
The sol-gel method was used to obtain materials deposited with cobalt and nickel phosphides of the general formula Me2P and iron phosphide on highly porous silica (S ud 811 m2/g). The advantage of the methods of obtaining materials considered in the work is the absence of the need to use structure-forming substances such as surfactants. ...
Added: September 16, 2025
Козуб Г. И., Кондратьева Т. А., Шилов Г. В. et al., Известия Академии наук. Серия химическая 2023 Т. 72 № 3 С. 651–663
Three new binuclear tetranitrosyl iron complexes with m- and p-methoxybenzenethiolate and naphthalene-2-thiolate ligands have been synthesized. The crystals were characterized by X-ray diffraction, IR, Mossbauer spectroscopy, and elemental analysis. The NO-donating properties, cytotoxicity in tumor and non-cancerous cells, and antibacterial activity of the obtained complexes were studied. The toxicity of the complexes and the corresponding ...
Added: September 14, 2025
Балакина А. А., Приходченко Т. Р., Якушев И. А. et al., Известия Академии наук. Серия химическая 2023 Т. 72 № 7 С. 1618–1632
The structure of 3-hydroxy-6-methyl-2-ethylpyridinium nitroxysuccinate (2), its cytotoxicity, and its ability to influence the content of intracellular nitrogen monoxide, as well as the formation of reactive oxygen species and lipid peroxidation processes under conditions of induced oxidative stress were studied. It was demonstrated that compound 2 had low cytotoxicity in vitro in both non-cancerous and ...
Added: September 14, 2025
Mehrabi-Kalajahi S., Ostovari Moghaddam A., Akbarpour S. et al., ACS Applied Energy Materials 2025 Vol. 8 No. 12 P. 8524–8531
High-entropy materials provide an interesting route for developing highly active electrocatalysts owing to their tunability and numerous active sites; however, their performance can be further improved with interfacial engineering in nanocomposite catalysts. In this study, (CoFeMnCuNiCr)3O4 high-entropy oxide (HEO) nanoparticles were synthesized and grafted onto graphene (HEO–G), graphene oxide (HEO–GO), and reduced graphene oxide (HEO–rGO) supports. ...
Added: June 16, 2025
Ostovari Moghaddam A., Mehrabi-Kalajahi S., Moaddeli M. et al., The Journal of Physical Chemistry Letters 2025 Vol. 16 No. 17 P. 4196–4204
Electrocatalytic CO2 reduction reaction (CO2RR) to valuable multicarbon (C2+) fuels and chemicals presents a promising strategy to mitigate atmospheric CO2 accumulation and promote the closure of the carbon cycle. However, significant challenges persist in achieving both high product selectivity and sustained stability in the CO2RR. In this study, the catalytic performance of (Fe,Co,Ni,Cu)3O4 medium entropy oxide (MEO) nanoparticles ...
Added: May 8, 2025
Baraboshkin N. M., Zelenov V. P., Fedyanin I.V. et al., CrystEngComm 2025 Vol. 27 No. 3 P. 386–399
In this work, the cocrystallization of both benzotrifuroxan (BTF) and [1,2,5]oxadiazolo[3,4-e][1,2,3,4]tetrazine
4,6-dioxide (furazanotetrazine dioxide, FTDO) with [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxide (FCO),
1,5-dioxide (FCDO) and some of their nitro derivatives was investigated, focusing on the cocrystal structural
features and their detonation performance. First, cocrystallization energies using crystal structure prediction
(CSP) methods, identifying energetically favorable component ratios for BTF and FTDO with cinnoline
oxides, ...
Added: March 9, 2025
S. K. Gotovko, Ivanova A. G., P. S. Kudimkina et al., Physical Review B: Condensed Matter and Materials Physics 2025 Vol. 111 No. 6 Article 064430
We present the study of low-frequency dynamics of LiCu3O3—an antiferromagnet on a strongly depleted square lattice. The crystal structure contains two types of square planes with different Li+→Cu2+ substitution rates (20% and 40%). Recent nuclear magnetic resonance (NMR), magnetization measurements and neutron scattering experiments revealed the occurrence of antiferromagnetic order at 𝑇𝑐1=123K and the change ...
Added: March 3, 2025
He R., Yang L., Zhang Y. et al., Advanced Materials 2023 Vol. 35 No. 46 Article 2303719
High entropy alloys (HEAs) are highly suitable candidate catalysts for oxygen evolution and reduction reactions (OER/ORR) as they offer numerous parameters for optimizing the electronic structure and catalytic sites. Herein, FeCoNiMoW HEA nanoparticles are synthesized using a solution-based low-temperature approach. Such FeCoNiMoW nanoparticles show high entropy properties, subtle lattice distortions, and modulated electronic structure, leading to ...
Added: January 12, 2025