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Synthesis, structure and electrochemical properties of 1-ferrocenyl-3-cymantrenyl-containing beta-diketone, pyrazole and mixed-metal chelated complex of p-cymene-ruthenium-iodide
Polyhedron. 2018. Vol. 149. P. 73–78.
Claisen condensation of acetylferrocene (eta(5)-C5H5)Fe(eta(5)-C5H4COCH3) and methyl ether of cymantrenecarboxylic acid (CO)(3)Mn(eta(5)-C5H(4)COOMe) results in beta-diketone (eta(5)-C5H5)Fe(eta(5)-C5H4)-C(O) CH2C(O)-(eta(5)-C5H4)Mn(CO)(3) (I) which reacts with hydrazine to form a heterometallic pyrazole (eta(5)-C5H5)Fe(eta(5)-C5H4)-N2C3H3-(eta(5)-C5H4)Mn(CO)(3) (II) or reacts with diiodo(p-cymene)ruthenium(II) dimer giving chelate beta-ketoenolate complexes of ruthenium, (p-cymene)RuI[eta(5)-C5H5)Fe(eta(5)-C5H4)-C(O)CHC(O)-(eta(5)-C5H4)Mn(CO)(3)] (III). The structures of complexes I-III were determined by single crystal X-ray diffraction. Electrochemical properties were studied too.
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
Титенкова К., Турпаков Е. А., Чаплыгин Д. А. et al., Organic Letters 2025 Vol. 27 No. 17 P. 4434–4438
A new method for the synthesis of rare mesoionic heterocycles, namely, 1,2,3-triazolium-5-olates, via electrochemically induced intramolecular N–N bond formation was realized. The process involves electrooxidative cyclization of the readily available α-aminocarbonyl hydrazones, occurs under mild conditions, and enables the preparation of a diverse series of target mesoionics. Additionally, 1,2,3-triazolium-5-olates demonstrated high thermal stability (up to ...
Added: February 22, 2026
Mikhail A. Boym, Pototskiy R., Evgeniya S. Podyacheva et al., Dalton Transactions 2025 Vol. 54 No. 14 P. 5655–5658
Natural R-carvone was converted into chiral 1-aryl-2-methyl-5-isopropyl-cyclohexadienes using a cross-coupling reaction as a key step. These dienes react with RuCl3 to give planar-chiral complexes [(arene)RuCl2]2 in 70–75% yields. Complex [(1-Ph-2-Me-5-iPr-C6H3)RuCl2]2, a chiral analogue of the classical catalyst [(cymene)RuCl2]2, promotes C–H activation of N-methoxy-benzamide and intramolecular insertion of a diazo compound into a C–H bond, but gives products with low ...
Added: February 15, 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
Mikhail A. Boym, Pototskiy R., Evgeniya S. Podyacheva et al., Chemical Communications 2024 Vol. 60 No. 33 P. 4491–4494
Heating tert-butyl-tetraline with [(p-cymene)RuCl2]2 produces the racemic complex [(arene)RuCl2]2, which can be separated into enantiomers by chromatography of its diastereomeric adducts with chiral phosphine ligand. The resolved chiral complex catalyzes C–H activation of N-methoxy-benzamides and their annulation with N-vinyl-pivaloyl amide giving dihydroisoquinolones in 50–80% yields and with 40–80% enantiomeric excess. ...
Added: January 23, 2025
Kagan M., Silkin V. M., Efremov D. V., / Series arXiv "math". 2024. No. 2411.12836.
In this study, we analyze the dielectric function of high-Tc cuprates as a function of doping level, taking into account the full energy band dispersion within the CuO2 monolayer. In addition to the conventional two-dimensional (2D) gapless plasmon mode, our findings reveal the existence of three anomalous branches within the plasmon spectrum. Two of these branches ...
Added: November 27, 2024
Influence of anisotropy on the study of critical behavior of spin models by machine learning methods
Sukhoverkhova D., Shchur L., / Series arXiv "math". 2024. No. 2410.14523.
In this paper, we applied a deep neural network to study the issue of knowledge transferability between statistical mechanics models. The following computer experiment was conducted. A convolutional neural network was trained to solve the problem of binary classification of snapshots of the Ising model's spin configuration on a two-dimensional lattice. During testing, snapshots of ...
Added: October 21, 2024
Mozolenko V., Fadeeva Marina, Shchur L., / Series arXiv "math". 2024. No. 2405.10865.
The development of new algorithms for simulations in physics is as important as the development of new analytical methods. In this paper we present a comparison of the recently developed microcanonical population annealing (MCPA) algorithm with the rather mature Wang-Landau algorithm. The comparison is performed on two cases of the Potts model exhibiting a first ...
Added: May 20, 2024
Kagan M., Аксёнов С. В., / Series Research Square "Research Suqare". 2024. No. 1.
We study different resonances (first of all of the Fano type) in the interference device formed by the Aharonov-Bohm ring with superconducting (SC) wire in the topologically nontrivial state playing a role of a bridge between top and bottom arms. We analyze Majorana modes on the ends of the SC wire and show that the collapse of the ...
Added: April 10, 2024
Ребров Я. В., Glazkov V., Murtazoev A. F. et al., / Series cond-mat "arxiv.org". 2023.
Nabokoite family compounds ACu7(TeO4)(SO4)5Cl (A=Na, K, Cs, Rb) are one of the candidates for the evasive spin-liquid state predicted for highly-frustrated square kagome lattice (SKL). Their magnetic subsystem includes SKL layers decorated by additional copper ions. All members of this family are characterized by quite high Curie-Weiss temperatures (∼80−200 K), but magnetic ordering was reported ...
Added: January 29, 2024
Fateeva A., Shutkov I., Mazur D. et al., Mendeleev Communications 2022 Vol. 32 P. 186–188
Preparation of novel imidazole ligands containing
3-(benzyloxy)pyridinone moiety is described. The Ruiii and
Ruii leader-compounds containing the above-mentioned
ligands were synthesized by coordination of imidazole group.
The stability of the obtained compounds was explored in
buffer solution and in the presence of DMSO, respectively,
and their antiproliferative activity was assessed. ...
Added: January 19, 2024
Shurakov A., Kaurova N., Belikov I. et al., / Series Physics "arxiv.org". 2022.
In this paper, we report on the method of nondestructive quality control that can be used in fabrication of GaAs high-speed electronics. The method relies on the surface potential mapping and enables rigid in vivo analysis of transport properties of an active electronic device incorporated into a complex integrated circuit. The study is inspired by ...
Added: September 15, 2023
Komarova A., Dmitry S. Perekalin, Organometallics 2023 Vol. 42 No. 13 P. 1433–1438
There is a common assumption that replacement of the classical catalyst based on rare and expensive noble metals by the catalysts based on earth-abundant metals will dramatically reduce the costs of organic synthesis. Herein we demonstrate that it may not be true, mainly because sophisticated organic substrates and modern reagents are often as expensive as ...
Added: August 11, 2023
Runikhina S., Afanasyev O., Kuchuk E. et al., Chemical Science 2023 Vol. 14 P. 4346–4350
Converter gas is a large scale waste product that is usually burned to carbon dioxide and contributes to the world emission of greenhouse gases. Herein we demonstrate that instead of burning the converter gas can be used as a reducing agent in organic reactions to produce valuable pharmaceuticals and agrochemicals. In particular, amide-based selected drug ...
Added: August 11, 2023
Pototskiy R., Mikhail A. Boym, Nelyubina Y. et al., Synthesis 2022 Vol. 54 No. 21 P. 4721–4726
Ruthenium complex with chiral arene ligand [(camphor-arene)RuCl2]2 was synthesized by the reaction of RuCl3∙nH2O with the chiral diene, which was obtained from natural camphor in 3 steps. This complex catalyzed asymmetric hydrogenation of acetophenone (64-85% ee), but decomposed in the catalytic reactions involving C-H activation of 2-phenyl-pyridine or benzoic acid derivatives. ...
Added: January 24, 2023
Pugach N., Safonchik M. O., Belotelov V. et al., / Series "cond-mat". 2022. No. 2110.00369.
A detailed investigation of a superconducting spin-triplet valve is presented. This spin-valve consists of a superconducting film covering a metal with an intrinsic spiral magnetic order, which could result from competing isotropic exchanges or, if the crystal lattice breaks central symmetry, from asymmetric Dzyaloshinskii-Moriya exchange. Depending on the anisotropy, such a metal may change its ...
Added: November 16, 2022
Novikov S. V., / Series cond-mat "arxiv.org". 2022. No. 2209.14955.
Charge transport in amorphous semiconductors having spatially correlated exponential density of states (DOS) has been considered for the arbitrary behavior of the correlation function of random energies. Average carrier velocity is exactly calculated for the quasi-equilibrium (nondispersive) transport regime. For the symmetric exponential DOS with exponential tails for low and high energies and non-positive correlation ...
Added: November 1, 2022
Лаврова М. А., Lunev A. M., Гончаренко В. Е. et al., Координационная химия 2022 Т. 48 № 6 С. 343–351
Новый комплекс [RuL(Dmdcbp)2]PF6 (I) получен последовательным взаимодействием [Ru-p-cymene]2Cl4 с 3,3',5,5'-тетраметил-1,1'-бифенил-4,4'-бипиразолом (L) и 4,4'-дикарбокси-2,2'-бипиридином в среде метанол–хлороформ. Состав комплекса I подтвержден методами ЯМР и элементным анализом, изучены оптические и люминесцентные свойства комплекса. Лиганд L впервые охарактеризован методом РСА (CIF file CCDC № 2118676). Для интерпретации спектров поглощения и испускания проведены квантово-химические расчеты в рамках теории функционала плотности. Комплекс ...
Added: October 17, 2022
Kalikin N., Kolesnikov A. L., Budkov Y., Current Opinion in Electrochemistry 2022 Vol. 36 Article 101134
The number of electrochemical applications of ionic liquids and their polymerized forms is steadily growing. Nevertheless, polymeric ionic liquid-based electrochemical systems have hardly ever been described theoretically in the same way as monomeric ionic liquids-based ones. In this opinion we briefly outline recent studies addressing basic and applied research of polymeric ionic liquids and shortly ...
Added: September 9, 2022
Ikhsanov R., Mazur E., Kagan M., / Series "Working papers by Cornell University". 2022. No. 2202.01452.
At present, the task of searching for compounds with a high superconducting transition temperature is a very relevant scientific direction. Usually, the calculation of is carried out by numerically solving the system of Eliashberg equations. In this paper, a set of programs for solving this system written in various forms on the imaginary axis is ...
Added: February 4, 2022
Fatkulin A., Afanasyev O., Tsygankov A. et al., Journal of Catalysis 2022 Vol. 405 P. 404–409
Catalytic reductive reactions are essential for laboratory and industrial-scale organic synthesis. However, the nowadays trend is the development of new, progressively more complicated reducing systems, which hinders the application of such highly efficient approaches in practice. Another way to achieve highly active systems is enhancing the activity of the earlier developed catalysts with simple structures. ...
Added: January 11, 2022
Budkov Y., Zavarzin S., Kolesnikov A. L., Journal of Physical Chemistry C 2021 Vol. 125 No. 38 P. 21151–21159
We formulate a general mean-field theory for a flat electric double layer in ionic liquids and electrolyte solutions with ions possessing static polarizability and a permanent dipole moment on a charged electrode. We establish a new analytical expression for electric double-layer differential capacitance, determining it as an absolute value of the ratio of the local ...
Added: September 16, 2021
Sanina N., Isaeva U., Utenyshev A. et al., Inorganica Chimica Acta 2021 Vol. 527 Article 120559
A new inhibitor of phosphodiesterase (PDE), i.e., nitric oxide (NO) donor, a water soluble DNIC Na[Fe(C7H5N4S)2(NO)2]⋅2.5H2O (1), has been synthesized. The structure of the new complex, its physical-chemical properties in the solid state and in solutions have been studied experimentally (X-ray analysis, IR, UV-Vis, Mossbauer spectroscopy, mass-spectrometry, and amperometry) and theoretically (quantum-chemical modeling by DFT ...
Added: September 16, 2021