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The influence of methoxy- group position on thermal stability and properties of novel isomeric 4-[(methoxy)phenoxy] phthalonitriles and phthalocyanine complexes based on them
Dyes and Pigments. 2023. Vol. 219. Article 111600.
Erzunov D., Rassolova A., Botnar A., Tonkova S., Rumyantsev R., Maizlish V., Aleksandriskii V., Vashurin A.
Isomeric 4-[(methoxy)phenoxy]phthadinitriles were obtained and characterized in this work. The compounds showed high thermal stability, which is directly related to their structure. These features were revealed and described using X-ray diffraction analysis. For m-substituted structures during packing, the largest contribution was found from intermolecular interactions of the π-stacking type between nitrile fragments. In the packing of o-substituted analogs, this type of interaction is not realized due to geometry, and additional stabilization is realized due to the appearance of three-center intermolecular bonds between the bridging oxygen atoms of one nitrile molecule and the hydrogen atom of the nitrile fragment of another molecule. Based on the obtained phthalonitriles, novel metal complexes with tetrakis-4-[4-(o-/m-/p-methoxy)phenoxy]phthalocyanine ligands were synthesized. For the substituted phthalocyaninates obtained the structure was characterized, the spectroscopic and luminescent properties were determined, as well as the influence of the position of the methoxy-group in the peripheral fragments on them. It is shown that, on the one hand, the position of the methoxyl-group has a significant effect on the values of the fluorescence quantum yields of the compounds, and, on the other hand, has almost no effect on their fluorescence lifetimes.
Novikov A., Communications in Computational Chemistry 2026 Vol. 8 No. 2 P. 203–210
Chalcogen bonds (ChBs) are often interpreted as 𝜎-hole driven electrostatic interactions between a chalcogen atom and a Lewis base, yet their covalent character remains under active discussion. Here, we present a real-space, reference-free study of prototypical X2Ch···X– complexes (X = F, Cl; Ch = O, S) using the Interacting Quantum Atoms (IQA) energy decomposition within ...
Added: May 27, 2026
Birin K. P., Journal of Photochemistry and Photobiology A: Chemistry 2026 Vol. 474 Article 116936
Oxidation of sulfides by singlet oxygen has been extensively studied, yet the structure-photoactivity relationship of these photosensitizers remains underinvestigated. In the present work the photocatalytic performance of a set of functionalized palladium(II) porphyrinates was comprehensively investigated in the photocatalytic oxidation of sulfides to reveal mutual influence of structural peculiarities onto the photosensitizing properties. The photophysical ...
Added: May 27, 2026
Nazarov A., Sivaev I., Mezentsev I. et al., Journal of Photochemistry and Photobiology A: Chemistry 2026 Vol. 479 Article 117316
Novel cobalt bis(dicarbollide) based terminal alkynes with charge-compensated group in a spacer were synthesized by the nucleophilic ring-opening reactions of cyclic oxonium derivatives of cobalt bis(dicarbollide) with N,N-dimethylbut-3-yn-1-amine. A series of zwitterionic conjugates of cobalt bis(dicarbollide) with BODIPY were synthesized using the copper(I)-catalyzed azide-alkyne cycloaddition reaction. The absorption-emission spectra of the synthesized fluorescent conjugates of cobalt ...
Added: May 27, 2026
Toukach P., Smirnova N. S., Zdorovenko E. L. et al., Analytical Chemistry 2026 Vol. 98 No. 15 P. 10988–10996
Pyruvylation is one of the immunochemically relevant modifications of O-antigens in bacterial and fungal cells. Therefore, fast and relatively simple analytical methods for identifying this modification are highly demanded. 13C NMR spectroscopy is the best candidate for this purpose, but its successful application requires using reference structures and reliable databases. In this work, we collected ...
Added: May 25, 2026
Зверева О., Клюев Ф. С., Lebedeva N. et al., Organic Letters 2025 Vol. 27 No. 50 P. 13711–13716
Added: May 23, 2026
Mikhail A. Losev, Andrey S. Kozlov, Afanasyev O. et al., ACS Catalysis 2026 Vol. 16 No. 10 P. 9380–9386
A convenient, stable, and non-toxic substance, tetrabutylammonium difluorotriphenylsilicate (TBAT), can be used as an organocatalyst in all stages of polymer lifetime: synthesis, modification, and recycling. The fluorine-containing initiator showed high activity in the polymerization of siloxanes compared to classic organocatalytic systems. Using kinetically controlled ROP, a high-molecular-weight PDMS (Mn up to 820 𝑘𝑔/𝑚𝑜𝑙) was prepared at room ...
Added: May 22, 2026
Лосев М. А., Козлов А. С., Клюев Ф. С. et al., Organic and Biomolecular Chemistry 2023 Vol. 21 No. 42 P. 8477–8481
A simple and atom-efficient way to prepare amides directly from carboxylic acids and nitroarenes was developed. Carbon monoxide as a sole reducing agent provides the ultimate selectivity of the protocol. A straightforward and selective way for the preparation of amides from nitroarenes and carboxylic acids using carbon monoxide as a reductant was developed. This protocol ...
Added: May 22, 2026
Андреев Д. В., Корнев С. А., Bondarenko G. et al., Перспективные материалы 2026 № 6 С. 5–11
Выполнено сравнительное исследование процессов сильнополевой зарядовой
деградации подзатворного диэлектрика структур металл-диэлектрик-полупроводник (МДП)
с алюминиевым и поликремниевым затвором. Зарядовые явления в МДП-структурах
изучали методом сильнополевой инжекции электронов в диэлектрик в режиме возрастания
плотности стрессового инжекционного тока с кратковременными переключениями
в измерительный режим при постоянной низкой плотности инжекционного тока.
Использование данного метода позволило получить новые данные о процессах зарядовой
деградации подзатворного диэлектрика МДП-структур с ...
Added: May 21, 2026
Bezzubov S., Malikov D., Krasnov L. et al., Scientific data 2026 Vol. 13 Article 727
Solubility is a crucial property of organic compounds, impacting their potential applications in synthetic chemistry, materials science and drug design. Moreover, in technological processes mixtures of solvents are often utilized, making the solubility assessment more complicated. Predicting solubility values in mixtures of solvents from a molecular structure can help to address this issue, although a ...
Added: May 19, 2026
Rathish S., Andrey S. Vasenko, Thazhathenair A. et al., The Journal of Physical Chemistry Letters 2026 Vol. 17 No. 18 P. 5386–5394
We demonstrate and rationalize the effect of Au nanoparticles (NPs) on the hierarchical g-C3N4/CeO2 heterojunction. g-C3N4/CeO2 decorated with monodispersed plasmonic Au NPs was synthesized. Detailed analyses showed that CeO2 nanocubes and monodispersed Au NPs were evenly distributed over the 2D g-C3N4 surface, forming a robust interface enriched with abundant active sites. The structure enabled efficient separation of photogenerated charge ...
Added: May 16, 2026
Paul R., Das A., Sharma N. et al., Colloids and Surfaces A: Physicochemical and Engineering Aspects 2026 Vol. 728 Article 138830
Niobium-doped TiO2 (Nb-TiO2), demonstrates dual functionality as an efficient photocatalyst for dye degradation and a promising photoelectrocatalyst for water oxidation. Nb incorporation via a facile hydrothermal method was confirmed by XRD (Rietveld refinement), XPS, TEM, FT-IR, Raman, and BET analyses, indicating successful lattice doping and structural modification. Photocatalytic dye degradation experiments were conducted using a model ...
Added: May 16, 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
Гущина В. А., Mendeleev Communications 2025 Vol. 35 No. 2 P. 193–195
All-inorganic perovskite CsPbBr3 and Cs4PbBr6 nanoparticles are intensively studied for their unique optical properties, though synthesizing single-phase nanoparticles has posed challenges. Detailed synthesis method of CsPbBr3 and Cs4PbBr6 single-phase nanoparticles and their chemical and phase analysis are described. Distinctive optical characteristics, such as photoluminescence, optical band gap and the Urbach tail region, are revealed and explained within the current ...
Added: May 14, 2026
Гущина В. А., Physics of Complex System 2026 Vol. 7 No. 1 P. 3–15
Heterostructures based on ZnO nanorods and CsPbBr3 nanocrystals were investigated for their potential as semiconductor SERS substrates. We found that ZnO morphology governs the efficiency of interfacial energy transfer, leading to enhanced photoluminescence under 390 nm excitation and a noticeable reduction of the bandgap in the composites. Raman analysis revealed a pronounced intensity enhancement and ...
Added: May 14, 2026
Мальцева В. Е., Ananyev I., Sivaev I. et al., Journal of Cluster Science 2025 Vol. 36 No. 5 Article 161
The conformational mobility of the [8-EtO-8’-I-3,3’-Co(1,2-C2B9H10)2]− anion, which has been chosen as a model compound for many potential drugs based on cobalt bis(dicarbollide), was studied by 1H NMR spectroscopy, single crystal X-ray diffraction and quantum chemical calculations. According to the results of quantum chemical calculations, the most favourable conformation for [8-EtO-8’-I-3,3’-Co(1,2-C2B9H10)2]− is the transoid conformation, which is stabilized by one ...
Added: May 13, 2026
Мальцева В. Е., Оскорбин А. А., Журнал общей химии 2023 Т. 93 № 11 С. 1722–1735
С использованием композитных методов квантово-химических расчетов и метода атомизации выполнены расчеты энтальпии образования для тестового набора из 79 соединений с точностью 3.8, 4.5, 4.7 кДж/моль для методов G4, G4MP2, CBS-QB3 соответственно. По результатам статистического анализа отклонений теоретических значений от экспериментальных выявлено присутствие ошибок, возникающих на этапе оптимизации геометрии из-за неучтенных в расчете корреляционных эффектов. Для ...
Added: May 13, 2026
Мальцева В. Е., Ananyev I., Милевская А. В. et al., Теоретические основы химической технологии 2025 Т. 59 № 3 С. 13–22
Проведено квантово-химическое моделирование механизма экстракции Fe(III) из солянокислого раствора с использованием гидрофобных эвтектических растворителей на основе 1-октанола. Установлено, что путь реакции существенно различается в зависимости от того, является ли инертный компонент донором или акцептором водородной связи в димере с октанолом. На основе оценки прочности водородных связей показано, что более слабое взаимодействие между компонентами упрощает протекание ...
Added: May 13, 2026
Мальцева В. Е., Ananyev I., Kozhevnikova A. et al., Molecules 2024 Vol. 29 No. 21 Article 5022
A new approach to managing the extraction properties of eutectic solvents based on aliphatic alcohols is proposed. Aliphatic alcohols, when functioning as hydrogen bond donors within a eutectic solvent, significantly enhance the solvent’s efficiency in extracting metal ions. Conversely, when the alcohol acts as a hydrogen bond acceptor, its extraction properties diminish. Molecular modelling reveals ...
Added: May 13, 2026
Садртдинова Г. И., Nifantiev I., Vinogradov A. et al., Russian Chemical Reviews 2025 Vol. 94 No. 9 P. 1 – 55
The reactivity of polar vinyl monomers, unsaturated compounds containing functional groups, depends on the presence or absence of conjugation between the C=C bond and the neighbouring unsaturated moieties or donor heteroatoms. Conjugated polar vinyl monomers (acrylates, vinyl ethers, etc.) (co)polymerize upon free-radical initiation. The reaction is widely used to produce numerous polymer materials that qualitatively differ ...
Added: May 12, 2026
Ilya Nifant’ev, Komarov P., Guzelia Sadrtdinova et al., Polymers 2024 Vol. 16 No. 5 Article 681
Silica-supported chromium oxide catalysts, also named Phillips chromium catalysts (PCCs), provide more than half of the world’s production of high- and medium-density polyethylenes. PCCs are usually prepared in the Cr(VI)/SiO2 form, which is subjected to reductive activation. It has been explicitly proven that CO reduces Cr(VI) to Cr(II) species that initiate ethylene polymerization; ethylene activates ...
Added: May 12, 2026
Pavlenko V. I., Bondarenko G.G., Cherkashina N. I. et al., Inorganic Materials: Applied Research 2026 Vol. 17 No. 2 P. 276–282
A composite material based on polyethylene, boron carbide (B4C), and bismuth oxide (Bi2O3) is
synthesized by the method of joint cryogenic milling of all components in liquid nitrogen environment followed
by pressing. The effect of cryogenic milling on the distribution of fillers in a composite is studied and
the prospects of using this method are assessed in comparison ...
Added: April 9, 2026
Erdelyi K., Bets I., Nasyrova D. et al., Journal of Organometallic Chemistry 2026 Vol. 1051 Article 124102
The first imidazolium derivatives of cobalt bis(dicarbollide) were synthesized by the reactions of the iodonium derivative of cobalt bis(dicarbollide) [8,8’-μ-I-3,3'-Co(1,2-C2B9H10)2] with 1-methylimidazole, 1-tert-butylimidazole, 1-phenylimidazole, and 1-isopropyl-benzimidazole. The solid-state structures of [8-MeIm-8’-I-3,3'-Co(1,2-C2B9H10)2], [8-PhIm-8’-I-3,3'-Co(1,2-C2B9H10)2] and [8-iPrBIm-8’-I-3,3'-Co(1,2-C2B9H10)2] were determined by single-crystal X-ray diffraction. ...
Added: March 3, 2026
Павленко В. И., Bondarenko G., Черкашина Н. И. et al., Перспективные материалы 2025 № 9 С. 22–31
Проведен синтез композитного материала на основе полиэтилена, карбида бора (B4C) и
оксида висмута (Bi2O3) методом совместный криогенного помола всех компонентов в среде
жидкого азота с дальнейшим прессованием. Изучено влияние криогенного помола на
распределение наполнителей в композите и дана оценка перспективности использования
данного метода, по сравнению с традиционными способами смешения компонентов
полимерных композитов. Исследования структуры и свойств готового композита проводили
методами сканирующей ...
Added: September 17, 2025
Тихомирова Т. В., Бычкова А. Н., Шишлова А. А. et al., Известия РАН. Серия химическая 2025 Т. 74 № 7 С. 2052–2061
Optimal conditions have been selected for the production of new phenol—azo dyes of different compositions, namely 2-phenyldiazenyl-4-(2-phenylpropan-2-yl)phenol and (2,6-dibromo)phenyldiazenyl-4-(2-phenylpropan-2-yl)phenol. The synthesized dyes were used for nucleophilic substitution with 3- and 4-nitrophthalonitrile to form 3/4-[2-phenyldiazenyl-4-(2-phenyl)propan-2-yl]phenoxy- and 3/4-[2-(2,6-dibromo)phenyldiazenyl]-4-(2-phenylpropan-2-yl)phenoxypthalonitriles. The metal complexes were synthesized by template condensation in a solution of the corresponding phthalonitrile with zinc or magnesium ...
Added: September 16, 2025