Pub Date : 2025-09-30DOI: 10.1134/S0036023625602144
G. S. Zakharova, Z. A. Fattakhova
Cubic α-Mn2O3 was synthesized by microwave-assisted hydrothermal treatment of a reaction mixture containing potassium permanganate and ascorbic acid taken in a molar ratio of 1: (1–1.5) followed by annealing in air. A possible mechanism for the formation of manganese(III) oxide was proposed. The main physicochemical characteristics of the synthesized α-Mn2O3 were determined using powder X-ray diffraction, scanning electron microscopy, and low-temperature nitrogen adsorption. It was found that β-MnO2, Mn3O4, and MnO/C and Mn3O4/C composites can be additionally obtained by varying the molar ratio of the components of the reaction mixture and the conditions of annealing of the precursors.
{"title":"Microwave-Assisted Hydrothermal Synthesis of α-Mn2O3","authors":"G. S. Zakharova, Z. A. Fattakhova","doi":"10.1134/S0036023625602144","DOIUrl":"10.1134/S0036023625602144","url":null,"abstract":"<p>Cubic α-Mn<sub>2</sub>O<sub>3</sub> was synthesized by microwave-assisted hydrothermal treatment of a reaction mixture containing potassium permanganate and ascorbic acid taken in a molar ratio of 1: (1–1.5) followed by annealing in air. A possible mechanism for the formation of manganese(III) oxide was proposed. The main physicochemical characteristics of the synthesized α-Mn<sub>2</sub>O<sub>3</sub> were determined using powder X-ray diffraction, scanning electron microscopy, and low-temperature nitrogen adsorption. It was found that β-MnO<sub>2</sub>, Mn<sub>3</sub>O<sub>4</sub>, and MnO/C and Mn<sub>3</sub>O<sub>4</sub>/C composites can be additionally obtained by varying the molar ratio of the components of the reaction mixture and the conditions of annealing of the precursors.</p>","PeriodicalId":762,"journal":{"name":"Russian Journal of Inorganic Chemistry","volume":"70 8","pages":"1166 - 1171"},"PeriodicalIF":1.5,"publicationDate":"2025-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145190208","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-09-30DOI: 10.1134/S0036023625601187
O. A. Bredyuk, S. V. Zinchenko, A. I. Smolentsev, A. V. Ivanov
The interaction of thallium(I) N,N-dipropyldithiocarbamate with [AuCl4]– anions in a 2 M HCl medium has been studied. The heterogeneous reaction of gold(III) binding from solution to the solid phase, involving a redox process, results in the formation of the double dithiocarbamato–chlorido complex [Au(S2CNPr2)2][TlCl4]. The crystals of this compound are prone to polymorphism: at 220 K, the complex exists in the form of the α-modification (α-I), while at 296 K the β-modification (β-I) is stable. The α-I/β-I structures include 4/2 nonequivalent square-planar [Au(S2CNPr2)2]+ cations (A, 2 B, C/A, B) and 2/1 distorted tetrahedral [TlCl4]– anions. Self-assembly of these structural units, which are combined due to interionic secondary interactions (the most important of which are chalcogen bonds S···Cl), leads to the formation of complicated supramolecular architectures such as pseudopolymeric cation–anion ribbons. Alternating along the edges of these ribbons and acting as double linkers, thallium(III) anions pairwise combine neighboring isomeric [Au(S2CNPr2)2]+cations located in the central part of the ribbons. Studying the thermal behavior of the complex, it was demonstrated that individual thermolysis products are TlCl and elemental gold, which is quantitatively reduced and crystallized under low-temperature conditions (up to 300°C).
{"title":"Crystal Polymorphism of the Pseudopolymeric Double Gold(III)–Thallium(III) Dithiocarbamato–Chlorido Complex [Au(S2CNPr2)2][TlCl4]: Preparation, Self-Assembly of Supramolecular Architectures, and Thermal Behavior","authors":"O. A. Bredyuk, S. V. Zinchenko, A. I. Smolentsev, A. V. Ivanov","doi":"10.1134/S0036023625601187","DOIUrl":"10.1134/S0036023625601187","url":null,"abstract":"<p>The interaction of thallium(I) <i>N</i>,<i>N</i>-dipropyldithiocarbamate with [AuCl<sub>4</sub>]<sup>–</sup> anions in a 2 M HCl medium has been studied. The heterogeneous reaction of gold(III) binding from solution to the solid phase, involving a redox process, results in the formation of the double dithiocarbamato–chlorido complex [Au(S<sub>2</sub>CNPr<sub>2</sub>)<sub>2</sub>][TlCl<sub>4</sub>]. The crystals of this compound are prone to polymorphism: at 220 K, the complex exists in the form of the α-modification (α-<b>I</b>), while at 296 K the β-modification (β-<b>I</b>) is stable. The α-<b>I</b>/β-<b>I</b> structures include 4/2 nonequivalent square-planar [Au(S<sub>2</sub>CNPr<sub>2</sub>)<sub>2</sub>]<sup>+</sup> cations (<i>A</i>, 2 <i>B</i>, <i>C</i>/<i>A</i>, <i>B</i>) and 2/1 distorted tetrahedral [TlCl<sub>4</sub>]<sup>–</sup> anions. Self-assembly of these structural units, which are combined due to interionic secondary interactions (the most important of which are chalcogen bonds S···Cl), leads to the formation of complicated supramolecular architectures such as pseudopolymeric cation–anion ribbons. Alternating along the edges of these ribbons and acting as double linkers, thallium(III) anions pairwise combine neighboring isomeric [Au(S<sub>2</sub>CNPr<sub>2</sub>)<sub>2</sub>]<sup>+</sup>cations located in the central part of the ribbons. Studying the thermal behavior of the complex, it was demonstrated that individual thermolysis products are TlCl and elemental gold, which is quantitatively reduced and crystallized under low-temperature conditions (up to 300°C).</p>","PeriodicalId":762,"journal":{"name":"Russian Journal of Inorganic Chemistry","volume":"70 8","pages":"1184 - 1197"},"PeriodicalIF":1.5,"publicationDate":"2025-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145190246","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-09-10DOI: 10.1134/S0036023625601850
H. Q. Li, Y. X. Cao, X. T. Chen, B. J. Zhang
To effectively remove dyes from wastewater, carboxyl-functionalized and amine-functionalized Fe3O4 magnetic nanoparticles were synthesized by hydrothermal method and co-precipitation method, respectively, then coated with BSA through reverse emulsion. Their difference in morphology and structure of different functionalized magnetic nanoparticles are recognizable by X-ray diffraction, Fourier transform infrared (FT-IR) and scanning electron microscope (SEM). And their thermal stability and magnetic properties were examined through thermogravimetric analysis (TGA) and magnetic hysteresis curves. In addition, their dye removal behavior was examined. Results demonstrated that the composite particles have a good removal effect on Congo red and Alizarin red. The experimental maximum adsorption capacity of composite particles BSA-coated carboxyl-functionalized Fe3O4 for Congo red and Alizarin red is 546.914 and 89.25 mg/g, respectively. The maximum adsorption capacity of BSA-coated amine-functionalized Fe3O4 is 486.25 and 71.34 mg/g, respectively. Both the adsorption processes of dyes on the composite particles fitted well with the pseudo-second-order kinetic model. Their adsorption isotherm were more in line with the Langmuir model than the Freundlich model. It was inferred that the adsorption process was spontaneous adsorption from the values of the thermodynamic parameters of the reaction between dyes and composite particles. The two types of composite particles show potential applications in the removal of dyes from wastewater. This expands their application fields, as previously only the use of such BSA/Fe3O4 composite particles for treating heavy metals in wastewater had been reported.
{"title":"Preparation and Removal Dyes Studies of BSA-Enveloped Functionalized Fe3O4 Composite Particles","authors":"H. Q. Li, Y. X. Cao, X. T. Chen, B. J. Zhang","doi":"10.1134/S0036023625601850","DOIUrl":"10.1134/S0036023625601850","url":null,"abstract":"<p>To effectively remove dyes from wastewater, carboxyl-functionalized and amine-functionalized Fe<sub>3</sub>O<sub>4</sub> magnetic nanoparticles were synthesized by hydrothermal method and co-precipitation method, respectively, then coated with BSA through reverse emulsion. Their difference in morphology and structure of different functionalized magnetic nanoparticles are recognizable by X-ray diffraction, Fourier transform infrared (FT-IR) and scanning electron microscope (SEM). And their thermal stability and magnetic properties were examined through thermogravimetric analysis (TGA) and magnetic hysteresis curves. In addition, their dye removal behavior was examined. Results demonstrated that the composite particles have a good removal effect on Congo red and Alizarin red. The experimental maximum adsorption capacity of composite particles BSA-coated carboxyl-functionalized Fe<sub>3</sub>O<sub>4</sub> for Congo red and Alizarin red is 546.914 and 89.25 mg/g, respectively. The maximum adsorption capacity of BSA-coated amine-functionalized Fe<sub>3</sub>O<sub>4</sub> is 486.25 and 71.34 mg/g, respectively. Both the adsorption processes of dyes on the composite particles fitted well with the pseudo-second-order kinetic model. Their adsorption isotherm were more in line with the Langmuir model than the Freundlich model. It was inferred that the adsorption process was spontaneous adsorption from the values of the thermodynamic parameters of the reaction between dyes and composite particles. The two types of composite particles show potential applications in the removal of dyes from wastewater. This expands their application fields, as previously only the use of such BSA/Fe<sub>3</sub>O<sub>4</sub> composite particles for treating heavy metals in wastewater had been reported.</p>","PeriodicalId":762,"journal":{"name":"Russian Journal of Inorganic Chemistry","volume":"70 9","pages":"1416 - 1425"},"PeriodicalIF":1.5,"publicationDate":"2025-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145384722","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-09-10DOI: 10.1134/S0036023625602028
F. Y. Ju, Y. P. Li, G. Z. Liu
Two novel zinc(II) coordination polymers, namely [Zn2(ptca)(OH)(bpe)(H2O)]n (1) and {[Zn(Hptca)(bpa)]·H2O}n (2) (H3ptca is 1,3,5-pentanetricarboxylic acid, bpe is 1,2-bis(4-pyridinyl)ethylene, bpa is 1,2-bis(4-pyridinyl)ethane) have been prepared through solvothermal reactions. Single-crystal X-ray diffraction revealed that both complexes 1 and 2 have two-dimensional layer structures pillared by nitrogen-donor ligands, wherein different degrees of deprotonation and coordination modes of carboxylate groups are observed. In addition, the fluorescent properties of complexes 1 and 2 have been studied in the solid state at room temperature.
{"title":"Syntheses, Structures, and Properties of Two New Zn(II) Coordination Polymers Containing Flexible Aliphatic 1,3,5-Pentanetricarboxylic Acid","authors":"F. Y. Ju, Y. P. Li, G. Z. Liu","doi":"10.1134/S0036023625602028","DOIUrl":"10.1134/S0036023625602028","url":null,"abstract":"<p>Two novel zinc(II) coordination polymers, namely [Zn<sub>2</sub>(ptca)(OH)(bpe)(H<sub>2</sub>O)]<sub><i>n</i></sub> (<b>1</b>) and {[Zn(Hptca)(bpa)]·H<sub>2</sub>O}<sub><i>n</i></sub> (<b>2</b>) (H<sub>3</sub>ptca is 1,3,5-pentanetricarboxylic acid, bpe is 1,2-bis(4-pyridinyl)ethylene, bpa is 1,2-bis(4-pyridinyl)ethane) have been prepared through solvothermal reactions. Single-crystal X-ray diffraction revealed that both complexes <b>1</b> and <b>2</b> have two-dimensional layer structures pillared by nitrogen-donor ligands, wherein different degrees of deprotonation and coordination modes of carboxylate groups are observed. In addition, the fluorescent properties of complexes <b>1</b> and <b>2</b> have been studied in the solid state at room temperature.</p>","PeriodicalId":762,"journal":{"name":"Russian Journal of Inorganic Chemistry","volume":"70 9","pages":"1344 - 1351"},"PeriodicalIF":1.5,"publicationDate":"2025-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145384721","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-09-10DOI: 10.1134/S0036023625601680
E. S. Khusanov, Zh. Sh. Bobozhonov, Zh. S. Shukurov, A. S. Togasharov, B. B. Akhmedov, B. Sh. Khudoyberdiyev
In the magnesium chlorate–ureamonoethanolammonium acetate–water system, the binary system consisting of Mg(ClO3)2–H2O was initially studied from –52.0°C to the melting point of the initial components, and a diagram of the binary system was drawn. All eutectic points were identified in the constructed diagram. In order to fully describe the system, the binary system of the first and second substances was first studied. It was found that the eutectic point of the binary system consisting of C3H8O3N2∙NH2C2H4OH–H2O corresponds to the temperature of –31.0°C when there are 54.4% monoethanolammonium acetate urea and 45.6% water. Based on the binary systems of studied starting materials and six internal sections, the phase polythermal solubility diagram of the Mg(ClO3)2–C3H8O3N2∙NH2C2H4OH–H2O system was constructed. The polythermal solubility diagram was studied at the temperature from –52.0 to –3.0°C and the wide concentration range based on binary systems of the starting substances and six internal sections. The crystallization field boundaries of ice, C3H8O3N2∙NH2C2H4OH, Mg(ClO3)2∙6H2O, Mg(ClO3)2∙12H2O, and Mg(ClO3)2∙16H2O were determined in the diagram. The studied system belongs to the complex eutonic type, the starting substances retain their properties in solution and no new compounds are formed.
{"title":"Solubility of Components in Magnesium Chlorate–Ureamonoethanolammonium Acetate–Water System","authors":"E. S. Khusanov, Zh. Sh. Bobozhonov, Zh. S. Shukurov, A. S. Togasharov, B. B. Akhmedov, B. Sh. Khudoyberdiyev","doi":"10.1134/S0036023625601680","DOIUrl":"10.1134/S0036023625601680","url":null,"abstract":"<p>In the magnesium chlorate–ureamonoethanolammonium acetate–water system, the binary system consisting of Mg(ClO<sub>3</sub>)<sub>2</sub>–H<sub>2</sub>O was initially studied from –52.0°C to the melting point of the initial components, and a diagram of the binary system was drawn. All eutectic points were identified in the constructed diagram. In order to fully describe the system, the binary system of the first and second substances was first studied. It was found that the eutectic point of the binary system consisting of C<sub>3</sub>H<sub>8</sub>O<sub>3</sub>N<sub>2</sub>∙NH<sub>2</sub>C<sub>2</sub>H<sub>4</sub>OH–H<sub>2</sub>O corresponds to the temperature of –31.0°C when there are 54.4% monoethanolammonium acetate urea and 45.6% water. Based on the binary systems of studied starting materials and six internal sections, the phase polythermal solubility diagram of the Mg(ClO<sub>3</sub>)<sub>2</sub>–C<sub>3</sub>H<sub>8</sub>O<sub>3</sub>N<sub>2</sub>∙NH<sub>2</sub>C<sub>2</sub>H<sub>4</sub>OH–H<sub>2</sub>O system was constructed. The polythermal solubility diagram was studied at the temperature from –52.0 to –3.0°C and the wide concentration range based on binary systems of the starting substances and six internal sections. The crystallization field boundaries of ice, C<sub>3</sub>H<sub>8</sub>O<sub>3</sub>N<sub>2</sub>∙NH<sub>2</sub>C<sub>2</sub>H<sub>4</sub>OH, Mg(ClO<sub>3</sub>)<sub>2</sub>∙6H<sub>2</sub>O, Mg(ClO<sub>3</sub>)<sub>2</sub>∙12H<sub>2</sub>O, and Mg(ClO<sub>3</sub>)<sub>2</sub>∙16H<sub>2</sub>O were determined in the diagram. The studied system belongs to the complex eutonic type, the starting substances retain their properties in solution and no new compounds are formed.</p>","PeriodicalId":762,"journal":{"name":"Russian Journal of Inorganic Chemistry","volume":"70 9","pages":"1359 - 1363"},"PeriodicalIF":1.5,"publicationDate":"2025-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145384939","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-09-10DOI: 10.1134/S0036023625602168
A. V. Kalistratova, D. V. Novikova, A. S. Kubasov, K. Yu. Zhizhin, N. T. Kuznetsov
Boron cluster compounds are inorganic polyhedral structures used in various fields, they have a wide range of different types of bioactivity and are perspective compounds for boron neutron capture therapy of cancer. Therefore, they require the development of various analytical techniques for qualitative and quantitative analysis and determination of their properties. Capillary electrophoresis (CE) is an interesting, universal method for analysis of charged substances. However, there is a fairly limited number of boron cluster compounds studies using CE. Here reports the possibility of a technically simple method of capillary zone electrophoresis analysis of boron clusters [B10H10]2– and some of its derivatives, as well as the [B12H12]2–. The possibility of anions analysis in normal and reverse polarity separation modes in the absence of capillary surface modifiers or capillary wall polymer coating has been demonstrated. Electrophoretic mobilities were determined for analyzed compounds. The presented work is a clear example of the fact that capillary electrophoresis can serve as a simple and convenient method for soluble and partially water-soluble boron cluster compounds analysis.
{"title":"Analysis of closo-Decaborate Anion and Its Derivatives by Capillary Zone Electrophoresis","authors":"A. V. Kalistratova, D. V. Novikova, A. S. Kubasov, K. Yu. Zhizhin, N. T. Kuznetsov","doi":"10.1134/S0036023625602168","DOIUrl":"10.1134/S0036023625602168","url":null,"abstract":"<p>Boron cluster compounds are inorganic polyhedral structures used in various fields, they have a wide range of different types of bioactivity and are perspective compounds for boron neutron capture therapy of cancer. Therefore, they require the development of various analytical techniques for qualitative and quantitative analysis and determination of their properties. Capillary electrophoresis (CE) is an interesting, universal method for analysis of charged substances. However, there is a fairly limited number of boron cluster compounds studies using CE. Here reports the possibility of a technically simple method of capillary zone electrophoresis analysis of boron clusters [B<sub>10</sub>H<sub>10</sub>]<sup>2–</sup> and some of its derivatives, as well as the [B<sub>12</sub>H<sub>12</sub>]<sup>2–</sup>. The possibility of anions analysis in normal and reverse polarity separation modes in the absence of capillary surface modifiers or capillary wall polymer coating has been demonstrated. Electrophoretic mobilities were determined for analyzed compounds. The presented work is a clear example of the fact that capillary electrophoresis can serve as a simple and convenient method for soluble and partially water-soluble boron cluster compounds analysis.</p>","PeriodicalId":762,"journal":{"name":"Russian Journal of Inorganic Chemistry","volume":"70 9","pages":"1318 - 1325"},"PeriodicalIF":1.5,"publicationDate":"2025-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145384880","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Z-scheme plasmonic photocatalytic Ag/AgBr/Bi2WO6 nanocomposites were synthesized by precipitation–sonochemical deposition method. X-ray powder diffraction, FTIR spectroscopy, scanning electron microscopy, transmission electron microscopy, X-ray photoelectron spectroscopy, and UV-vis diffuse reflectance spectroscopy were used to certify the coexistence of spherical Ag and AgBr nanoparticles randomly supported on the surface of orthorhombic Bi2WO6 nanoplates. In this research, the visible absorption of Ag/AgBr/Bi2WO6 nanocomposites was better than that of pure Bi2WO6 and AgBr/Bi2WO6 samples because of the synergistic effect of surface plasmon resonance (SPR) of metallic Ag nanoparticles and Z-scheme Ag/AgBr/Bi2WO6 heterojunctions. Photocatalytic activity and mechanism of ternary Ag/AgBr/Bi2WO6 photocatalyst were investigated under visible light illumination and discussed in details according to the experimental results.
{"title":"Synthesis and Characterization of Z-Scheme Plasmonic Ag/AgBr/Bi2WO6 Nanocomposites Used for Photocatalysis of Selected Organic Dye","authors":"Anukorn Phuruangrat, Surangkana Wannapop, Titipun Thongtem, Somchai Thongtem","doi":"10.1134/S0036023625600376","DOIUrl":"10.1134/S0036023625600376","url":null,"abstract":"<p>Z-scheme plasmonic photocatalytic Ag/AgBr/Bi<sub>2</sub>WO<sub>6</sub> nanocomposites were synthesized by precipitation–sonochemical deposition method. X-ray powder diffraction, FTIR spectroscopy, scanning electron microscopy, transmission electron microscopy, X-ray photoelectron spectroscopy, and UV-vis diffuse reflectance spectroscopy were used to certify the coexistence of spherical Ag and AgBr nanoparticles randomly supported on the surface of orthorhombic Bi<sub>2</sub>WO<sub>6</sub> nanoplates. In this research, the visible absorption of Ag/AgBr/Bi<sub>2</sub>WO<sub>6</sub> nanocomposites was better than that of pure Bi<sub>2</sub>WO<sub>6</sub> and AgBr/Bi<sub>2</sub>WO<sub>6</sub> samples because of the synergistic effect of surface plasmon resonance (SPR) of metallic Ag nanoparticles and Z-scheme Ag/AgBr/Bi<sub>2</sub>WO<sub>6</sub> heterojunctions. Photocatalytic activity and mechanism of ternary Ag/AgBr/Bi<sub>2</sub>WO<sub>6</sub> photocatalyst were investigated under visible light illumination and discussed in details according to the experimental results.</p>","PeriodicalId":762,"journal":{"name":"Russian Journal of Inorganic Chemistry","volume":"70 9","pages":"1426 - 1437"},"PeriodicalIF":1.5,"publicationDate":"2025-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145384723","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-09-10DOI: 10.1134/S0036023625601941
T. H. Yotova, R. Z. Yankova
In this study, we report the hydrothermal synthesis and comprehensive quantum chemical characterization of the double selenite compound Rb2Co(SeO3)2. The structural, electronic, and optical properties were investigated using Density Functional Theory (DFT) in combination with Natural Bond Orbital (NBO) and Quantum Theory of Atoms in Molecules (QTAIM) analyses. The results confirm the coexistence of strong polar covalent Co–O bonds and weaker ionic Rb···O interactions, indicative of a mixed ionic–covalent bonding framework. Frontier molecular orbital (FMO) analysis revealed a moderate HOMO–LUMO energy gap (2.873 eV), suggesting balanced reactivity and stability, while the Molecular Electrostatic Potential (MEP) and natural charge distribution pointed to clearly defined nucleophilic and electrophilic regions. Calculated global reactivity descriptors further supported the compound’s potential for charge-transfer interactions. Importantly, the evaluation of nonlinear optical (NLO) properties, including dipole moment (μ), polarizability (α), and first-order hyperpolarizability (β), demonstrated a significant NLO response (βtot = 627.253 au), highlighting Rb2Co(SeO3)2 as a promising candidate for photonic and optoelectronic applications. Overall, this work contributes to the understanding of structure–property relationships in transition-metal selenites and illustrates the value of theoretical methods in predicting and tuning the functional properties of advanced inorganic materials.
{"title":"Theoretical Insights into the Structure, Bonding, and Nonlinear Optical Properties of Rb2Co(SeO3)2: A DFT and QTAIM Study","authors":"T. H. Yotova, R. Z. Yankova","doi":"10.1134/S0036023625601941","DOIUrl":"10.1134/S0036023625601941","url":null,"abstract":"<p>In this study, we report the hydrothermal synthesis and comprehensive quantum chemical characterization of the double selenite compound Rb<sub>2</sub>Co(SeO<sub>3</sub>)<sub>2</sub>. The structural, electronic, and optical properties were investigated using Density Functional Theory (DFT) in combination with Natural Bond Orbital (NBO) and Quantum Theory of Atoms in Molecules (QTAIM) analyses. The results confirm the coexistence of strong polar covalent Co–O bonds and weaker ionic Rb···O interactions, indicative of a mixed ionic–covalent bonding framework. Frontier molecular orbital (FMO) analysis revealed a moderate HOMO–LUMO energy gap (2.873 eV), suggesting balanced reactivity and stability, while the Molecular Electrostatic Potential (MEP) and natural charge distribution pointed to clearly defined nucleophilic and electrophilic regions. Calculated global reactivity descriptors further supported the compound’s potential for charge-transfer interactions. Importantly, the evaluation of nonlinear optical (NLO) properties, including dipole moment (μ), polarizability (α), and first-order hyperpolarizability (β), demonstrated a significant NLO response (β<sub>tot</sub> = 627.253 au), highlighting Rb<sub>2</sub>Co(SeO<sub>3</sub>)<sub>2</sub> as a promising candidate for photonic and optoelectronic applications. Overall, this work contributes to the understanding of structure–property relationships in transition-metal selenites and illustrates the value of theoretical methods in predicting and tuning the functional properties of advanced inorganic materials.</p>","PeriodicalId":762,"journal":{"name":"Russian Journal of Inorganic Chemistry","volume":"70 9","pages":"1326 - 1336"},"PeriodicalIF":1.5,"publicationDate":"2025-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145384954","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-08-26DOI: 10.1134/S0036023625601369
Yu. A. Teterin, K. I. Maslakov, A. I. Serokurova, M. N. Smirnova, G. E. Nikiforova, N. N. Novitskii, S. A. Sharko, A. Yu. Teterin, M. N. Markelova, V. A. Amelichev, V. A. Ketsko
The ionic and phase compositions of a nanosized Y2.5Ce0.5Fe2.5Ga2.5O12 ferrogarnet film produced by dual ion-beam sputter deposition on a Gd3Ga5O12 substrate were studied by X-ray powder diffraction (XRD) and X-ray photoelectron spectroscopy (XPS). The Y2.5Ce0.5Fe2.5Ga2.5O12 target for film production was manufactured by gel combustion followed by vacuum annealing. X-ray powder diffraction verified the phase homogeneity of Y2.5Ce0.5Fe2.5Ga2.5O12 both in powder and in films and the absence of cerium dioxide impurity. X-ray photoelectron spectra showed Ce4+ ions on the surface of the Y2.5Ce0.5Fe2.5Ga2.5O12 film along with Ce3+.
{"title":"Ionic and Phase Compositions of a Nanosized Y2.5Ce0.5Fe2.5Ga2.5O12 Film on a Gd3Ga5O12 Substrate","authors":"Yu. A. Teterin, K. I. Maslakov, A. I. Serokurova, M. N. Smirnova, G. E. Nikiforova, N. N. Novitskii, S. A. Sharko, A. Yu. Teterin, M. N. Markelova, V. A. Amelichev, V. A. Ketsko","doi":"10.1134/S0036023625601369","DOIUrl":"10.1134/S0036023625601369","url":null,"abstract":"<p>The ionic and phase compositions of a nanosized Y<sub>2.5</sub>Ce<sub>0.5</sub>Fe<sub>2.5</sub>Ga<sub>2.5</sub>O<sub>12</sub> ferrogarnet film produced by dual ion-beam sputter deposition on a Gd<sub>3</sub>Ga<sub>5</sub>O<sub>12</sub> substrate were studied by X-ray powder diffraction (XRD) and X-ray photoelectron spectroscopy (XPS). The Y<sub>2.5</sub>Ce<sub>0.5</sub>Fe<sub>2.5</sub>Ga<sub>2.5</sub>O<sub>12</sub> target for film production was manufactured by gel combustion followed by vacuum annealing. X-ray powder diffraction verified the phase homogeneity of Y<sub>2.5</sub>Ce<sub>0.5</sub>Fe<sub>2.5</sub>Ga<sub>2.5</sub>O<sub>12</sub> both in powder and in films and the absence of cerium dioxide impurity. X-ray photoelectron spectra showed Ce<sup>4+</sup> ions on the surface of the Y<sub>2.5</sub>Ce<sub>0.5</sub>Fe<sub>2.5</sub>Ga<sub>2.5</sub>O<sub>12</sub> film along with Ce<sup>3+</sup>.</p>","PeriodicalId":762,"journal":{"name":"Russian Journal of Inorganic Chemistry","volume":"70 7","pages":"952 - 959"},"PeriodicalIF":1.5,"publicationDate":"2025-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144897120","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-08-26DOI: 10.1134/S0036023625601977
Ph. Yu. Gorobtsov, N. P. Simonenko, T. L. Simonenko, E. P. Simonenko
Using vanadyl and nickel alkoxoacetylacetonates, films of vanadium pentoxide doped with 1, 3, and 10 mol % nickel oxide were obtained. All films crystallize in the tetragonal β-V2O5 modification. The materials are highly textured along axis (200) and consist of one-dimensional structures. However, at 3 and 10 mol % NiO, nanoparticles with sizes of 30–50 nm are also observed in addition to the one-dimensional structures. According to Raman spectroscopy data, the materials contain a significant amount of V4+ ions, but no traces of NiO phases were detected. From the standpoint of electrochromic properties, all obtained materials are cathodic, changing color to dark blue upon reduction and to a more transparent yellow upon oxidation. An increase in nickel content leads to a decrease in coloration efficiency and a slowdown of electrochromic processes. The results of the study indicate the potential of using nickel-doped V2O5-based materials obtained with metal alkoxoacetylacetonates as precursors for components in electrochromic devices.
{"title":"Application of Metal Alkoxoacetylacetonates in Preparation of Electrochromic Films Based on Nickel-Doped V2O5","authors":"Ph. Yu. Gorobtsov, N. P. Simonenko, T. L. Simonenko, E. P. Simonenko","doi":"10.1134/S0036023625601977","DOIUrl":"10.1134/S0036023625601977","url":null,"abstract":"<p>Using vanadyl and nickel alkoxoacetylacetonates, films of vanadium pentoxide doped with 1, 3, and 10 mol % nickel oxide were obtained. All films crystallize in the tetragonal β-V<sub>2</sub>O<sub>5</sub> modification. The materials are highly textured along axis (200) and consist of one-dimensional structures. However, at 3 and 10 mol % NiO, nanoparticles with sizes of 30–50 nm are also observed in addition to the one-dimensional structures. According to Raman spectroscopy data, the materials contain a significant amount of V<sup>4+</sup> ions, but no traces of NiO phases were detected. From the standpoint of electrochromic properties, all obtained materials are cathodic, changing color to dark blue upon reduction and to a more transparent yellow upon oxidation. An increase in nickel content leads to a decrease in coloration efficiency and a slowdown of electrochromic processes. The results of the study indicate the potential of using nickel-doped V<sub>2</sub>O<sub>5</sub>-based materials obtained with metal alkoxoacetylacetonates as precursors for components in electrochromic devices.</p>","PeriodicalId":762,"journal":{"name":"Russian Journal of Inorganic Chemistry","volume":"70 7","pages":"1118 - 1124"},"PeriodicalIF":1.5,"publicationDate":"2025-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144897198","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}