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A Tris-Chelate Nickel Complex of Formylhydrazine: Synthesis and Crystal Structure J. Struct. Chem. (IF 0.8) Pub Date : 2024-03-01 A. A. Zabolotnyi, O. P. Demidov, S. B. Zaichenko, A. V. Bicherov, N. V. Ter-Oganessian
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Synthesis, Structure, and Photoluminescent Properties of Zn2+, Mn2+, Cd2+, Eu3+, and Tb3+ Complexes with 4-Allyl-2,3,5,6-Tetrafluorobenzoic Acid Anions and 1,10-Phenanthroline J. Struct. Chem. (IF 0.8) Pub Date : 2024-03-01 M. A. Shmelev, A. S. Chistyakov, G. A. Razgonyaeva, J. K. Voronina, E. A. Varaksina, I. V. Taydakov, A. A. Sidorov, I. L. Eremenko
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Diversity of Structural Motifs in Cu(hfac)2 Complexes with Spin-Labeled Polyalkylpyrazoles J. Struct. Chem. (IF 0.8) Pub Date : 2024-03-01 S. V. Fokin, E. T. Chubakova, S. E. Tolstikov, G. V. Romanenko, K. A. Smirnova, A. S. Bogomyakov, V. I. Ovcharenko
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First Example of an Octahedral Rhenium Telluride Cluster Complex with an Organic N-Donor Ligand J. Struct. Chem. (IF 0.8) Pub Date : 2024-03-01 E. D. Novikova, D. I. Konovalov, A. A. Ivanov, N. V. Kuratieva, A. S. Berezin, M. A. Shestopalov
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Photoluminescent Mixed-Ligand Europium(III) Complex with 3,4-Dichloroisothiazole-5-Carboxylic Acid and 1,10-Phenanthroline J. Struct. Chem. (IF 0.8) Pub Date : 2024-03-01 E. A. Sanzhenakova, K. S. Smirnova, I. P. Pozdnyakov, E. V. Lider
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Structure and Stability of Phosphorus Nanoclusters in a Wide Composition Range (P17–P220) J. Struct. Chem. (IF 0.8) Pub Date : 2024-03-01 D. V. Rybkovskiy, S. V. Lepeshkin, A. A. Mikhailova, V. S. Baturin
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Bisoxalateiridium Acid, a New Rare Example of a Crystal Complex Acid with the $${{\text{H}}_{5}}\text{O}_{2}^{+}$$ Cation, and Its Sodium Salt J. Struct. Chem. (IF 0.8) Pub Date : 2024-03-01 T. V. Zaitseva, A. V. Zadesenets, E. Y. Filatov, A. S. Sukhikh, S. V. Korenev
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Synthesis, Structure, and Properties of 4-Methyl-N-[2-(Pentafluorophenyliminomethyl)Phenyl]Methyl-Benzenesulfamide and the Copper(II) Complex Based on It J. Struct. Chem. (IF 0.8) Pub Date : 2024-03-01 V. G. Vlasenko, A. S. Burlov, S. A. Nikolaevskii, A. A. Shiryaeva, S. A. Mashchenko, M. A. Kiskin
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1D Iodine Formed Inside a Pre-Oriented Matrix of Carbon Nanotubes J. Struct. Chem. (IF 0.8) Pub Date : 2024-03-01 N. R. Arutyunyan, A. A. Tonkikh, D. V. Rybkovskiy, E. A. Obraztsova, E. D. Obraztsova
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Structural Features and Their Relation with Catalytic Properties of Bi2WO6/TiO2–N Composites Upon Photo-Oxidation of Benzene Vapors J. Struct. Chem. (IF 0.8) Pub Date : 2024-03-01 M. N. Lyulyukin, M. E. Morozova, D. A. Polskikh, I. P. Prosvirin, S. V. Cherepanova, D. S. Selishchev, D. V. Kozlov
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Synthesis and Porous Crystal Structure of a New Tetranuclear $$\text{\{Mn}_2^{\text{II}}\text{Mn}_2^{\text{III}}\}$$ Cluster Based on a Calix[4]Arene Functionalized at the Upper Rim by Distal p-(4-Nitrophenyl)Diazenyl and p-tert-Butyl Groups J. Struct. Chem. (IF 0.8) Pub Date : 2024-03-01 A. S. Ovsyannikov, Yu. V. Strelnikova, A. A. Iova, A. S. Agarkov, D. R. Islamov, P. V. Dorovatovskii, S. E. Solovieva, I. S. Antipin
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Ionic Electroactive Actuators and Sensors with Hybrid Polymer-Metal Electrodes J. Struct. Chem. (IF 0.8) Pub Date : 2024-03-01 V. M. Aivazyan, E. E. Kholodkova, I. K. Khmelnitskiy, N. I. Alekseev, D. S. Adamovich, S. E. Parfenovich, V. V. Trushlyakova, A. P. Broyko
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Silandiamide Complexes of Lanthanides with N-Phenylbenzothiazole Substituents: Synthesis, Unexpected Products, Structure, and Luminescence J. Struct. Chem. (IF 0.8) Pub Date : 2024-03-01 O. A. Mironova, A. A. Ryadun, N. A. Pushkarevskii, T. S. Sukhikh, S. N. Konchenko
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Synthesis, Structure and Thermal Decomposition of (H9O4)2[Re6S6Br8] J. Struct. Chem. (IF 0.8) Pub Date : 2024-03-01 S. S. Yarovoy, T. S. Sukhikh, N. G. Naumov
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Rhenium Cluster Complexes with Polyborohydride Anions, [Re6S8(Me2PzH)6]X (X = B10H10, B12H12) J. Struct. Chem. (IF 0.8) Pub Date : 2024-02-09 M. P. Davydova, T. S. Sukhikh, M. I. Rakhmanova, K. A. Brylev, A. V. Artem’ev
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Synthesis, Single Crystal X-Ray, Hirshfeld Surface Analysis and DFT Calculation Based NBO, HOMO–LUMO, MEP, ECT and Molecular Docking Analysis of N′-[(2,6-Dichlorophenyl)Methylidene]-2-{[3-(Trifluoromethyl)Phenyl]Amino}Benzohydrazide J. Struct. Chem. (IF 0.8) Pub Date : 2024-02-09 A. Suhta, S. Saral, U. Çoruh, S. Karakuş, E. M. Vazquez-Lopez
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Structural Elucidation, Hirshfeld Surface, FMO, Molecular Electrostatic Potential (MEP) and Fukui Function Analyses of a Quinoline Based Schiff Base Compound J. Struct. Chem. (IF 0.8) Pub Date : 2024-02-09 S. Halder, P. C. Mandal, M. Guin, S. Konar
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Synthesis and Structure of the Mononuclear Zinc Complex with 4-Biphenylcarboxylate Anions and 1,10-Phenanthroline J. Struct. Chem. (IF 0.8) Pub Date : 2024-02-09 A. S. Samulionis, S. N. Melnikov, A. A. Pavlov, A. A. Starikova, N. V. Gogoleva, S. A. Nikolaevskii, M. A. Kiskin, I. L. Eremenko
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Serendipitous Synthesis of an Octahedral Ni(II) Complex: Single Crystal Structure, Hirshfeld Surface and Voids Analysis J. Struct. Chem. (IF 0.8) Pub Date : 2024-02-09 T. Göktürk, C. G. Topkaya, T. Hökelek, R. Güp
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Mutual Adjacency of Components Molecules in Aqueous TBA and TMAO Solutions J. Struct. Chem. (IF 0.8) Pub Date : 2024-02-09 V. A. Nichiporenko, E. D. Kadtsyn, N. N. Medvedev
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Influence of Oxygen Nonstoichiometry on the Structural Stability of La1–xCaxMn0.5Co0.5O3 Complex Oxides (x = 0.2–0.6) Subjected to Heat Treatment in He J. Struct. Chem. (IF 0.8) Pub Date : 2024-02-09 A. V. Kapishnikov, Yu. N. Bespalko, E. I. Shuvarakova, S. V. Tsybulya, L. A. Isupova, E. Yu. Gerasimov
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Halogen Bonds in the Structure of Tetrabromophenylbutane J. Struct. Chem. (IF 0.8) Pub Date : 2024-02-09 G. G. Korablev, P. V. Dorovatovskii, A. N. Efremov, A. A. Osipov, K. Rajakumar, S. A. Nayfert, D. A. Zherebtsov
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An Antipyrine Based Fluorescent Probe and Selective Detection of Hg2+ AND Ag+ J. Struct. Chem. (IF 0.8) Pub Date : 2024-02-09 Y. Zhou, J. -W. Cao, D. -H. Zhang
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A New Phase of the Octahedral Tellurium-Iodine Cluster Complex of Rhenium J. Struct. Chem. (IF 0.8) Pub Date : 2024-02-09 E. D. Novikova, D. I. Konovalov, A. A. Ivanov, N. V. Kuratieva, M. A. Shestopalov
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New Polymorph of 1,3-Bis(2,6-di-isopropylphenyl)-4,5-Dichloroimidazole-2-Ylidene and a Cobalt Complex with this Compound J. Struct. Chem. (IF 0.8) Pub Date : 2024-02-09 P. A. Petrov, S. A. Nikolaevskii, E. A. Filippova, N. B. Kompankov, T. S. Sukhikh, M. A. Kiskin, M. N. Sokolov, I. L. Eremenko
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Synthesis of KGd2F7:Yb:Er Luminophores by Co-Precipitation from Aqueous Solutions J. Struct. Chem. (IF 0.8) Pub Date : 2024-02-09 A. S. Zakharova, A. A. Alexandrov, D. V. Pominova, P. P. Fedorov, S. V. Kuznetsov, V. K. Ivanov
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Whether Molecular Dynamics Methods Can Explain Different Activities of Stereoisomers Against Respiratory Syncytial Virus or Not? J. Struct. Chem. (IF 0.8) Pub Date : 2024-02-09 S. S. Borisevich, K. P. Volcho, N. F. Salakhutdinov
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Modification of Physicochemical Properties of Platinum-Titanium Catalysts for Ammonia Slip Oxidation J. Struct. Chem. (IF 0.8) Pub Date : 2024-02-09 L. S. Kibis, D. A. Svintsitskiy, I. Yu. Ovsyuk, T. Y. Kardash, A. V. Romanenko, A. I. Boronin
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Molecular and Crystal Structures of Ethyl-2-Amino-2-Bis(3,5-di-Tert-Butyl-4-Hydroxybenzyl)Ethanoate. Hydrogen Bonds in the Crystals of Sterically Hindered Phenols J. Struct. Chem. (IF 0.8) Pub Date : 2024-02-01
Abstract Ethyl-2-amino-2-bis(3,5-di-tert-butyl-4-hydroxybenzyl)ethanoate is prepared, its molecular and crystal structures are studied. The H-bond system in the crystals of compounds containing sterically hindered phenolic groups is analyzed. It is shown that a disproportion of proton-donor and proton-accepting groups in crystals may lead to the formation of an H-bond system in which hydroxyl and amino
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Conformational Polymorphism of Elsulfavirine Sodium Salt J. Struct. Chem. (IF 0.8) Pub Date : 2024-02-01
Abstract The X-ray diffraction analysis of two polymorphs of sodium (cis)-N-((4-(2-(4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl)acetamido)-3-chlorophenyl)sulfonyl)propioimide shows that the organic anion in them is in elongated and globular conformations. Both conformations are characterized by the absence of strong intramolecular interactions. According to the quantum chemical study, both the
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Synthesis, Crystal Structure, Optical and Antimicrobial Properties of 2-Nitrobenzyl Triphenylphosphonium Tetrabromocobaltate(II) J. Struct. Chem. (IF 0.8) Pub Date : 2024-02-01
Abstract A novel organic-inorganic hybrid multifunctional crystalline material, 2-nitrobenzyl triphenylphosphonium tetrabromocobaltate(II) [2-NO2BzTPP]2[CoBr4](1), has been synthesized using [2-NO2BzTPP]Br and CoBr2 in methanol solution acidified with hydrobromic acid and characterized using single-crystal X-ray diffraction and spectroscopic techniques. The single-crystal X-ray diffraction analysis
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Synthesis, Supramolecular Insight, Hirshfeld Surface Analyses and Magnetic Properties of Two Lanthanide Complexes of 1,8-naphthalene Dicarboxylate J. Struct. Chem. (IF 0.8) Pub Date : 2024-02-01
Abstract Two isostructural mononuclear complexes of lanthanides (Ln = La and Pr) constructed from 1,8-naphthalene dicarboxylate (NDC) and 1,10-phenanthroline (Phen) as auxiliary ligand are reported. Both the complexes were formed through an in situ hydrolytic ring opening reaction of 1,8-naphthalic anhydride with Phen ligands. 3D supramolecular structures are observed which are guided by different
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Convenient and Green Synthesis of Pom-Coated Gold Nanostructures and Photocatalytic Activity under Visible Light J. Struct. Chem. (IF 0.8) Pub Date : 2024-01-01
Abstract Synthesizing efficient and environment–friendly visible–light photocatalyst with simple methods is becoming attractive in these years in the field of photocatalysis. We report the preparation of Au@SbW9Co3 nanostructures, an environment-friendly visible–light catalyst, by coating Au0 with Polyoxometalate (POM) in a green and convenient way, the photocatalytic activities of which were investigated
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Superstoichiometric Oxygen and Structural Instability of Ferrite CaBaFe4O7: ab Initio Approach J. Struct. Chem. (IF 0.8) Pub Date : 2024-01-01
Abstract The pseudo-potential PAW method of the density functional theory is employed to study the localization of superstoichiometric oxygen in ferrite CaBaFe4O7 with the orthorhombic swedenborgite structure. The geometric characteristics of oxygen defects are determined by the crystal lattice relaxation procedure. It is shown that the formation of defects in calcium and barium coordination are energetically
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Combined Approach to the Calibration of a Single-Crystal Diffractometer. Studying the CsLiMo3O10 Structure in the Region from 90 K to 450 K J. Struct. Chem. (IF 0.8) Pub Date : 2024-01-01
Abstract We propose a number of approaches for refining unit cell parameters of single crystals using serial laboratory diffractometers equipped with 2D detectors and discuss the corresponding mathematical apparatus for processing the obtained results. The approaches are demonstrated on the example of orthorhombic LiCsMo3O10 crystals grown by the low-gradient Czochralski method using two different
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A Hydrazone Derivative: Synthesis, Crystal Structure, Supramolecular Assembly Exploration by Hirshfeld Surface Analysis and Computational Study J. Struct. Chem. (IF 0.8) Pub Date : 2024-01-01
Abstract The diazotization reaction of o-trifluoromethyl aniline from aromatic amines with 5,5-dimethylcyclohexane-1,3-dione was studied, as a result, 2-(2-(o-trifluoromethylphenyl)hydrazono)-5,5-dimethylcyclohexane-1,3-dione (THDCD) was synthesized and its structure was confirmed by X-ray diffraction analysis. The solid state assembly is stabilized by numerous intermolecular interactions which are
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Erratum to: SYNTHESES, STRUCTURAL INSIGHT AND HIRSHFELD SURFACE ANALYSIS OF TWO HETEROLEPTIC COORDINATION POLYMER OF Cu(II) J. Struct. Chem. (IF 0.8) Pub Date : 2023-12-29 J. K. Nath
An Erratum to this paper has been published: https://doi.org/10.1134/S002247662309010X
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Molecular and Crystal Structures of Pyrrolo[3,2-b]lup-20(29)-ene-28-Carbonitrile J. Struct. Chem. (IF 0.8) Pub Date : 2023-12-29 N. G. Komissarova, A. V. Orlov, K. Yu. Suponitskii, M. Yu. Yunusov
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Nitrato Complexes of Platinum(IV) with Cesium Cations J. Struct. Chem. (IF 0.8) Pub Date : 2023-12-29 P. A. Topchiyan, N. V. Kuratieva, D. B. Vasilchenko
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Synthesis, Structure, and Mechanism of Half-Sandwich Ruthenium Complex Containing OrthoCarborane-1,2-Dithiolate Ligand and 1-Phenyl-2-Propyn-1-ol J. Struct. Chem. (IF 0.8) Pub Date : 2023-12-29 J. R. Hu, S. Q. Zhao, J. H. Wang, S. Q. Sun, C. P. Miao
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Zn(II), Cd(II), and Pd(II) Complexes with a 1,10-Phenanthroline Derivative Bearing Diisopropylidene Glucose: Synthesis, Structure, Properties J. Struct. Chem. (IF 0.8) Pub Date : 2023-12-29 T. E. Kokina, A. M. Agafontsev, K. D. Sizintseva, V. Y. Komarov, M. I. Rakhmanova, Y. A. Golubeva, L. S. Klyushova
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Synthesis and Structure of the Co(III) Complex with 2-[((E)-(2-(ethylamino)-5-nitrophenylimino)methyl)-4-(phenyldiazenyl)]-Phenol J. Struct. Chem. (IF 0.8) Pub Date : 2023-12-29 A. S. Burlov, M. A. Kiskin, S. A. Nikolaevskii, Yu. V. Koshchienko, V. G. Vlasenko
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Investigating the Structural and Surface Properties of Copper and Nickel Complexes Fluorine-Based Salen Type Schiff Bases J. Struct. Chem. (IF 0.8) Pub Date : 2023-12-29 S. Kansiz
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High-Efficiency Thermally Activated Delayed Fluorescence of a Copper(I) Complex Based on Octachloro-1,10-Phenanthroline J. Struct. Chem. (IF 0.8) Pub Date : 2023-12-29 M. Yu. Petyuk, M. I. Rakhmanova, E. Kh. Sadykov, I. Yu. Bagryanskaya, M. N. Sokolov, K. A. Brylev, D. V. Stass, A. V. Artem’ev
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Nano-Sized Copper Films Prepared by Magnetron Sputtering J. Struct. Chem. (IF 0.8) Pub Date : 2023-12-29 V. S. Sulyaeva, V. R. Shayapov, M. M. Syrokvashin, A. K. Kozhevnikov, M. L. Kosinova
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Structure and Thermal Properties of Tris-(methylcyclopentadienyl)Scandium J. Struct. Chem. (IF 0.8) Pub Date : 2023-12-29 D. E. Petukhova, A. V. Sartakova, T. S. Sukhikh, M. Y. Afonin, S. V. Sysoev, E. S. Vikulova
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Synthesis, Crystal Structure, and Thermal Behavior of the [Fe(bpy)3]2[Ba(NO3)6] Ionic Complex J. Struct. Chem. (IF 0.8) Pub Date : 2023-12-29 I. A. Lutsenko, Y. A. Tigai, M. A. Shmelev, D. S. Yambulatov, A. S. Zaeva, E. A. Samoylenko, A. V. Khoroshilov, M. A. Kiskin, I. L. Eremenko
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Bromination of Pyrazole and Pyrazolate Ligands in [Mo5S5(pz)4(pzH)5]Br2 J. Struct. Chem. (IF 0.8) Pub Date : 2023-12-29 I. V. Savina, A. A. Ivanov, M. A. Shestopalov
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Crystal Structure, Hirshfeld Surface Analysis and Computational Studies of Two Benzo[b][1,4]Diazepine Derivatives J. Struct. Chem. (IF 0.8) Pub Date : 2023-12-29 F. Odame, T. Madanhire, E. C. Hosten, K. Lobb
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Electronic Structure and Optical Properties of the Adducts of Er3+ and Yb3+ Thenoyltrifluoracetonate with TPPO J. Struct. Chem. (IF 0.8) Pub Date : 2023-12-29 A. V. Shurygin, V. V. Korochentsev, I. A. Kurbatov, A. G. Mirochnik, I. V. Kalinovskaya, V. I. Vovna, A. A. Komissarov
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Synthesis of a Novel Dinuclear Ruthenium(III) Ono Pincer Complex Containing a M–M Bond: an XRD Study J. Struct. Chem. (IF 0.8) Pub Date : 2023-11-29 P. Jerome, S. Swaminathan, N. S. P. Bhuvanesh, T. H. Oh, R. Karvembu
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Tin(IV) Complexes Based on Diimines and 3,5-Di-Tert-Alkyl Substituted Pyrocatechols J. Struct. Chem. (IF 0.8) Pub Date : 2023-12-01
Abstract New tin(IV) complexes based on various pyrocatechols containing tert-butyl and tert-octyl substituents in the aromatic ring are synthesized and structurally characterized. Reduction of spatially hindered o-quinones with tin amalgam in tetrahydrofuran allows the preparation of compounds with the trans-position of catecholate ligands in the metal coordination sphere. In the further reaction
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Crystal Structure of Inclusion Compounds Based on Porous Trans-Thienothiophendicarboxylate of Europium(III) with Norbornadiene and Trans-Cinnamyl Alcohol J. Struct. Chem. (IF 0.8) Pub Date : 2023-12-01
Abstract Single crystals of two new inclusion compounds based on porous europium(III) trans-thienothiophenedicarboxylate are obtained by norbornadiene or trans-cinnamyl alcohol substitution for N,N-dimethylformamide (DMF). Their structures and compositions are determined by the single crystal X-ray diffraction analysis. The structure of [Eu2(DMF)4(ttdc)3]·3.3nbd ·1.2H2O (H2ttdc - trans-thienothiophenedicarboxylic
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Effect of Titanium and Manganese Additions on the Surface Segregation of Barium in Hexaferrites J. Struct. Chem. (IF 0.8) Pub Date : 2023-12-01
Abstract Distribution of chemical elements in polycrystalline BaFe12–xTixO19 and BaFe12–xMnxO19 barium ferrite samples is studied. The samples are prepared by solid-phase synthesis at 1400 °C from stoichiometric mixtures of oxides and carbonates. The XRD data indicate that all the studied samples have one crystalline phase characteristic of the M-type hexaferrite structure. The Curie temperatures are
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Photoluminescent Properties of Eu3+ in Different γ-, η-, θ-, and α-Al2O3 Polymorphs J. Struct. Chem. (IF 0.8) Pub Date : 2023-12-01
Abstract Photoluminescent properties of the Eu3+ ion as a probe are studied in γ-, η-, θ-, and α-Al2O3:Eu3+ polymorphs with an europium concentration of 0.05 wt.%. The photoluminescence (PL) spectra of Eu3+ ions are analyzed in the 5D0 → 7FJ (J = 0-4) transition region along with the asymmetry ratio, decay kinetics, and PL excitation spectra. It is found that Eu3+ ions incorporate into the Al2O3 lattice
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Synthesis, Characterization, Molecular Docking, and in Vitro Antidiabetic Activity Studies of New and Highly Selective Methoxy-Substituted Benzimidazole J. Struct. Chem. (IF 0.8) Pub Date : 2023-11-29 T. Athimoolam, L. Devaraj Stephen, B. Gunasekaran, J. Krishnamurthi
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Preparation of Model Rh–CeO2 Catalysts by Pulsed Laser Ablation in Liquid J. Struct. Chem. (IF 0.8) Pub Date : 2023-11-29 L. S. Kibis, A. I. Krotova, E. A. Fedorova, T. Yu. Kardash, O. A. Stonkus, V. A. Svetlichnyi, E. M. Slavinskaya, A. I. Boronin
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Molecular Dynamics Simulation of Structural Features and Ionic Mobility of [N(CnH2n+1)4]BF4 Organic Salts (n = 2, 4) J. Struct. Chem. (IF 0.8) Pub Date : 2023-11-29 I. I. Gainutdinov, N. F. Uvarov, M. Dong
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A Pyranopyrimidine Derivative: Synthesis, Characterization, Hirshfeld Surface Analysis and Computational Investigation J. Struct. Chem. (IF 0.8) Pub Date : 2023-11-29 M. N. Tahir, H. A. Shad, M. Haroon, M. Ashfaq, R. J. Mancini
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Crystal Structures of Two Metal-Organic Frameworks Based on Zn(II) and 2,5-Diiodoterephthalate J. Struct. Chem. (IF 0.8) Pub Date : 2023-11-29 A. S. Zaguzin, M. A. Bondarenko, T. S. Sukhikh, V. P. Fedin, S. A. Adonin