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Chiral titanium(IV) and vanadium(V) salen complexes as catalysts for carbon dioxide and epoxide coupling reactions
Tetrahedron. 2021. Vol. 82. Article 131929.
Kuznetsova S., Gorodishch I., Gak A., Zherebtsova V., Gerasimov I., Michael G. Medvedev, Kitaeva D., Ekaterina A. Khakina, North M., Belokon Y.
Chiral titanium(IV) and vanadium(V) salen complexes were found to catalyse the synthesis of cyclic carbonates from carbon dioxide and epoxides. Reactions could be conducted at room temperature and 50 bar pressure of carbon dioxide or at 100 °C and atmospheric pressure with catalyst concentrations as low as 0.1 mol% and co-catalyst (tetrabutylammonium bromide) concentrations as low as 0.5 mol%. The cyclic carbonates formed were racemic and a mechanism is proposed which relies on Lewis base catalysis to activate the carbon dioxide rather than Lewis acid catalysed activation of the epoxide as more commonly proposed for catalysis by metal complexes.
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
Makaryan I. A., Sedov I., Savchenko V. I., Catalysis in Industry 2024 Vol. 16 No. 1 P. 14–38
The aim of this review is to summarize and comparatively analyze recent reports on studying carbon
dioxide conversion to methanol, dimethyl ether, and C2+ hydrocarbons, in particular, olefins, by catalytic
hydrogenation. It is shown that the main approaches to providing high activity and selectivity of these
processes are the targeted design of catalysts and the selection of conditions ...
Added: February 24, 2025
Фокин В. Н., Фурсиков П. В., Фокина Э. Э. et al., Журнал прикладной химии 2024 Т. 97 № 1 С. 37–44
Исследовано гидрирование сплава TiFe, приготовленного в условиях, близких к условиям крупномасштабного производства. Показано, что данный сплав в условиях эксперимента (дегазация при
комнатной температуре, выдержка в водороде под давлением до 3.5 МПа и температуре до 350°C
в течение 14 ч с последующим охлаждением до комнатной температуры под давлением водорода)
водород не поглощает. В то же время смесь исходного сплава ...
Added: June 25, 2024
Лотоцкий М. В., Дэвидс М. В., Фокин В. Н. et al., Теплоэнергетика 2024 Т. 71 № 3 С. 85–101
The development of compact, safe, and efficient methods for storing hydrogen is one of the key problems of hydrogen energy. Currently used technologies for storing hydrogen in the form of compressed gas or cryogenic liquid require significant capital investments and maintenance costs for compressor and cryogenic equipment, are characterized by high energy costs, and their ...
Added: June 19, 2024
Боровицкая И. В., Коршунов С. Н., Мансурова А. Н. et al., Металлы 2024 № 1 С. 42–52
Обобщены результаты исследований, выполненных авторами по изучению влияния воздействия мощного лазерного излучения на морфологию и микротвёрдость поверхности ванадия, предварительно имплантированного ионами инертных газов (гелия и аргона). Облучение импульсами лазера проводили в установке ГОС 1001 в режиме модулированной добротности (с плотностью мощности потока q равной 1,2 × 1012 Вт/м2, длительностью импульса τ0 = 50 нс, числом ...
Added: March 6, 2024
Zamolodchikov D., Kaganov V. V., Mostovaya A. S., Russian Journal of Ecology 2023 Vol. 54 No. 6 P. 584–593
The formation of an organic carbon pool in soil is determined by the balance of incoming and outgoing fluxes. The incoming fluxes are associated with the processes of dying off and further transformation of the organic matter of plants, while the outgoing fluxes are primarily formed by the processes of organic matter destruction, although in ...
Added: February 11, 2024
Borovitskaya I. V., Demin A. S., N. A. Epifanov et al., Russian Metallurgy (Metally) 2022 Vol. 2022 No. 9 P. 1010–1018
The surface effects and the damage and structural changes in the titanium surface layer (SL) during
irradiation with powerful pulsed helium ion (HI) and helium plasma (HP) fluxes are investigated. Experiments
are carried out in the Vikhr Plasma Focus (PF) plant at the radiation power density of ions qi ≈ (1–5) × 108 and
plasma qp ≈ 107 ...
Added: October 3, 2023
Borovitskaya I. V., Korshunov S. N., Mansurova A. N. et al., Journal of Surface Investigation: X-Ray, Synchrotron and Neutron Techniques 2023 Vol. 17 No. 1 P. 59–65
The effect of high–power pulsed laser irradiation (LI) generated in the GOS 1001 installation in the modulated Q–factor mode (with a power density of q equal to 1.2 × 1012 W/m2, pulse duration t0 = 50 ns, number of pulses N from 1 to 4 in vacuum) on the porous structure of the vanadium samples ...
Added: March 26, 2023
Боровицкая И. В., Коршунов С. Н., Мансурова А. Н. et al., Поверхность. Рентгеновские, синхротронные и нейтронные исследования 2023 № 1 С. 67–73
Исследовано влияние мощного импульсного лазерного излучения, создаваемого в установке
ГОС 1001 в режиме модулированной добротности (плотность мощности потока q = 1.2 × 1012 Вт/м2,
длительность импульса τ0 = 50 нс, число импульсов N = 1–4) в вакууме, на пористую структуру поверхности образцов ванадия, сформированную после имплантации ионов гелия (энергия 30 кэВ,
доза 2.0 × 1023 м–2, плотность потока ...
Added: March 1, 2023
Borovitskaya I. V., Korshunov S. N., Mansurova A. N. et al., Physics of Atomic Nuclei 2022 Vol. 85 No. 1 P. S71–S79
A review of studies on the effect of intense flows of argon ions and high-power pulsed laser radiation
on properties such as microhardness, radiation erosion, structural changes, corrosion resistance in liquid
lithium, and changes in surface topography under conditions of separate and sequential irradiation with Ar+
ions and laser radiation of low-activated vanadium alloys (V–0.59Ga, V–1.86Ga, V–3.49Ga, V–3.4Ga–
0.62Si, ...
Added: December 26, 2022
Kraev G., Belonosov A., Veremeeva A. et al., Remote Sensing 2022 Vol. 14 No. 15 Article 3662
Most methane (CH4) and carbon dioxide (CO2) emissions originate from the biodegradation of organic matter of soils and of degrading permafrost in the Arctic. However, there is limited evidence of the activity of geological sources, and little understanding of the pathways of migration of gaseous fluids through the porous mineral matrix filled with ice. We ...
Added: October 26, 2022
Zamolodchikov D., Каганов В. В., Мостовая А. С., Лесоведение 2022 № 4 С. 339–350
The formation of a soil organic carbon pool is determined by the balance of incoming and outgoing fluxes. The incoming fluxes are associated with the processes of dying off and further transformation of the organic matter of plants, the outgoing fluxes are primarily formed by the processes of organic matter destruction, although in many ecosystems ...
Added: October 25, 2022
Боровицкая И. В., Демин А. С., Епифанов Н. А. et al., Металлы (Российская Академия наук, Российская Федерация 2022 № 5 С. 31–40
Исследованы поверхностные эффекты, особенности повреждаемости и структурных изменений в поверхностном слое (ПС) титана при облучении мощными импульсными потоками ионов гелия (ИГ) и гелиевой плазмы (ГП). Эксперименты проведены в установке Плазменный фокус (ПФ) «Вихрь» с плотностью мощности излучения ионов qi ~ (1 – 5)∙108 Вт/см2 и плазмы qp ~ 107 Вт/см2 при длительности импульсов соответственно τi ...
Added: October 12, 2022
Savchenko V. I., Zimin Y. S., Nikitin A. V. et al., Journal of CO2 Utilization 2021 Vol. 47 Article 101490
A kinetic and thermodynamic analysis of CO2utilization through non-catalytic dry (carbon dioxide) reforming of light hydrocarbons C1- C4in the temperature range of 1400-1800 K is performed. The sequence of stages of transformation of hydrocarbons into syngas and corresponding time intervals are determined. In this temperature range, methane is successively pyrolyzed into ethylene and then acetylene, ...
Added: October 3, 2022
Gorikhovskii V.I., Нагнибеда Е. А., Vestnik St. Petersburg University: Mathematics 2019 Vol. 52 No. 4 P. 428–435
In this paper considers algorithms for calculating vibrational energy exchange rate coefficients for collisions of carbon dioxide molecules are considered. For numerical modeling of CO2 vibrational kinetics in the state-to-state approach, it is necessary to solve a system of several thousands of differential equations for level populations of three vibrational CO2 modes at an each step of ...
Added: October 28, 2021
Gorikhovskii, V. I., Нагнибеда Е. А., Vestnik St. Petersburg University: Mathematics 2020 Vol. 53 No. 3 P. 358–365
Numerical modeling of nonequilibrium state-to-state carbon dioxide kinetics is a challenging time-consuming computational task that involves solving a huge system of stiff differential equations and requires optimized methods to solve it. In the present study, we propose and analyse optimizations for the Extended Backward Differential Formula (EBDF) scheme. Using adaptive timesteps instead of fixed ones ...
Added: October 28, 2021