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Design and synthesis of copper(II) malonates with N,N′-containing linkers
CrystEngComm. 2023. Vol. 25. No. 19. P. 2859–2870.
Zorina-Tikhonova E., Chistyakov A., Novikova V., Knyazev D., Gogoleva N., Blinou n., Efimov N., Dorovatovskii P., Kiskin M., Eremenko I., Vologzhanina A.
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
Ekaterina N. Zorina-Tikhonova, Matiukhina A., Korlyukov A. et al., CrystEngComm 2025 Vol. 27 No. 20 P. 3352–3361
In this work, new NiII coordination compounds with cyclopropane-1,1-dicarboxylic acid (H2cpdc) dianions were synthesized: {[Na2Ni(cpdc)2(H2O)6]·4H2O}n (1), {[K6Ni3(cpdc)6(H2O)10]·8H2O}n (2),
{[Rb6Ni3(cpdc)6(H2O)12]·5.5H2O}n (3), and [Cs2Ni(cpdc)2(H2O)8]n (4). All complexes contained mononuclear bischelate fragments {NiII(cpdc)2(H2O)2}2− bound by alkali atoms in a 1D coordination polymer for 1, 2D for 2 and 4, and 3Dfor 3. In the topological representation of coordination bonds ...
Added: June 3, 2025
Matiukhina A., Ekaterina N. Zorina-Tikhonova, Daniil O. Blinou et al., Journal of Magnetism and Magnetic Materials 2025 No. 614 Article 172650
The interaction of Co(NO3)2⋅6H2O and MI2CO3 (MI = Rb or Cs) with dimethylmalonic acid (H2Me2mal) leads to
the formation of 3D polymeric compounds: {[Co4Rb8(Me2mal)8(H2O)8]⋅5H2O}n (1) and {[CoCs2(Me2mal)2
(H2O)4]⋅H2O}n (2), respectively. The structures of 1 and 2 were characterized using X-ray diffraction analysis
and IR spectroscopy. Each complex contains CoII atoms arranged in four vertex polyhedra. Both compounds
exhibit field-induced ...
Added: February 20, 2025
Harin E. V., Sheftel E. N., Tedzhetov V. A. et al., Thin solid films 2024 Vol. 807 Article 140544
Investigation and quantifying of the parameters of the phase and structure state, static magnetic properties, magnetic microstructure formed over the entire volume of the film and in the near-surface layer, the surface roughness of Fe72.4Ti5.4B19.2O3.0 film were carried out using the combination of the methods such as x-ray diffraction, magnetic force microscopy, atomic force microscopy, ...
Added: December 9, 2024
Rinat F. Salikov, Belyy A., Matvey K. Ilyushchenko et al., Chemistry - A European Journal 2024 Vol. 30 No. 41 Article e202401041
Investigations of the nature and degree of antiaromaticity of cycloheptatrienyl anion derivatives using both experimental and computational tools are presented. The ground state of cycloheptatrienyl anion in the gas phase is triplet, planar and Baird-aromatic. In DMSO, it assumes a singlet distorted allylic form with a paratropic ring current. The other derivatives in both phases ...
Added: July 12, 2024
Vorobyova A., Danilovich I. L., Morozov I. et al., Journal of Alloys and Compounds 2022 Vol. 929 P. 167197–0
Two novel transition metal nitrates (NO)M(NO3)3 (M = Co, Ni) have been characterized in thermodynamic measurements. The structure of these compounds provides a unique opportunity for accommodation of Jahn – Teller cation with odd number of electrons Co2+ (3d7), and non – Jahn - Teller one with even number of electrons Ni2+ (3d8), in similar ...
Added: June 4, 2024
Vorobyova A., Danilovich I. L., Morozov I. et al., Materials 2022 Vol. 15 No. 20 P. 7066–0
Added: June 4, 2024
Vorobyova A., Komleva E. V., Geidorf M. Y. et al., Journal of Alloys and Compounds 2023 Vol. 968 P. 172072–0
Tetragonal crystal structure of molybdenum oxytribromide, MoOBr3, consists of non-planar Mo2Br6 units joined by non-equidistant Mo-O-Mo bonds into infinite ladders, which are connected to each other by the van der Waals forces. Within unit cell, the apical Mo atoms in any given ladder are shifted along the c axis either above (+z) or below (−z) ...
Added: June 4, 2024
Хайретдинова Д. Р., Долуденко И. М., Панина Л. В. et al., Физика твердого тела 2022 Т. 64 № 9 С. 1144–1152
Изучено несколько типов нанопроволок (НП) из сплавов различного состава, полученных методом
матричного синтеза на основе трековых мембран. Подобраны электролиты для получения НП нужного
состава. Контроль электроосаждения по хроноамперограммам позволил систематически изменять геометрические параметры и морфологию. Топографии полученных массивов НП и их элементный состав были
изучены с помощью электронной микроскопии с рентгеноспектральным анализатором. Магнитные свойства
образцов были исследованы на вибрационном ...
Added: December 6, 2023
Ekaterina N. Zorina-Tikhonova, Chistyakov A., Novikova V. et al., CrystEngComm 2023 Vol. 25 No. 19 P. 2859–2870
Knowledge-based approach to the design of coordination polymers with a given architecture in general
requires knowledge of regularities between the local coordination of metal atoms (or polynuclear metalcontaining
units), coordination modes of all ligands in a complex, and the entire framework topology.
The effect of the local coordination on the dimensionality and topology of the underlying nets was
demonstrated ...
Added: October 18, 2023