Russian Journal of Inorganic Chemistry最新文献_第6页

Crystal Structures and Luminescence Properties of Two Zn(II) Coordination Polymers Based on 3-(1H-Pyrazol-4-yl)-5-(pyridin-2-yl)-1,2,4-triazole and Polycarboxylic Acid Ligands 基于3-（1h -吡唑-4-基）-5-（吡啶-2-基）-1,2,4-三唑和聚羧酸配体的两种Zn（II）配位聚合物的晶体结构和发光性能

IF 1.5 3区化学

Russian Journal of Inorganic Chemistry Pub Date : 2025-07-09 DOI: 10.1134/S0036023625601163

Yu-Fang Wang, Yi-Kun Wang, Xi Luo, Tian-Yu Zhao, Li-Ya Wang

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Study of Mechanism Mobility of Calcium and Magnesium-Doped Lithium-Based Germanium Oxide Electrolytes for Lithium-Ion Batteries 锂离子电池用掺钙、镁锂基氧化锗电解质迁移机理研究

IF 1.5 3区化学

Russian Journal of Inorganic Chemistry Pub Date : 2025-07-09 DOI: 10.1134/S0036023625601308

N. R. Senthil Kumar, M. Manikandan, S. Selvakumar, S. C. Vella Durai, R. Sangeetha, B. Rohini

{"title":"Study of Mechanism Mobility of Calcium and Magnesium-Doped Lithium-Based Germanium Oxide Electrolytes for Lithium-Ion Batteries","authors":"N. R. Senthil Kumar, M. Manikandan, S. Selvakumar, S. C. Vella Durai, R. Sangeetha, B. Rohini","doi":"10.1134/S0036023625601308","DOIUrl":"10.1134/S0036023625601308","url":null,"abstract":"In this study, synthesis and characterization of electrolytes containing lithium oxide incorporated by Ge3+ with a basic formula of Li0.8Ge0.2–xO1.9 (where x is equal to 0.05, 0.10, 0.15) and doped lithium with Ca2+ and Mg2+ ions using Li1−xMxO2−δ (M = Ca, Mg) formula were produced through simple and cost-effective co-precipitation method. All the samples exhibited a perfect match with the rhombohedral-type structure, also demonstrating a good crystalline nature were examined using X-ray powder diffraction. The radii of the Li3+ (0.76 Å) and Ge3+ (0.53 Å) ions are almost close to that of Ca2+ and Mg2+. Further, structural modifications were investigated through Raman spectroscopy. The measurements recorded within the spectral range of 50 to 1000 cm–1, offer a comprehensive view of the vibrational characteristics of these materials. Minor functional group modifications were identified by FT-IR analysis. Optical absorption spectra were obtained from LiO2 electrolyte samples doped with varying concentrations of Ge3+, Ca2+ and Mg2+ ions, covering a wavelength range of 200 to 800 nm. The study utilizes SEM and EDAX to provide an in-depth investigation of the morphology and elemental composition of LiO electrolyte samples co-doped with varying concentrations of Ge3+, Ca2+ and Mg2+ ions. The EDAX spectrum confirms the presence of Li, Ge, Ca, and Mg elements, validating the doping process and ensuring the accuracy of the sample preparation. The role of individual grains and grain boundaries in the overall conductivity was explored through AC impedance spectroscopy, conducted over low temperature range.","PeriodicalId":762,"journal":{"name":"Russian Journal of Inorganic Chemistry","volume":"70 7","pages":"1091 - 1099"},"PeriodicalIF":1.5,"publicationDate":"2025-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144896999","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}

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Titanation of С/SiC Composite Fiber in KCl–LiCl–K2TiF6 Salt Melts and the Production of Ceramics С/SiC复合纤维在KCl-LiCl-K2TiF6盐熔体中的钛化及陶瓷的制备

IF 1.5 3区化学

Russian Journal of Inorganic Chemistry Pub Date : 2025-07-09 DOI: 10.1134/S0036023625600686

E. I. Istomina, P. V. Istomin, A. V. Nadutkin, V. E. Grass, I. M. Belyaev, O. G. Baeva, V. O. Tarasov, E. M. Tropnicov

引用次数: 0

Thermal Decomposition of [M(NH3)6][Fe(CN)6] (M = Ir, Rh) in Different Atmospheres. Crystal Structure of [Rh(NH3)6][Fe(CN)6] [M(NH3)6][Fe(CN)6] （M = Ir, Rh）在不同气氛下的热分解。[Rh(NH3)6][Fe(CN)6]的晶体结构

IF 1.5 3区化学

Russian Journal of Inorganic Chemistry Pub Date : 2025-07-09 DOI: 10.1134/S0036023624603684

A. A. Popov, P. E. Plyusnin, P. Yu. Tyapkin, T. S. Sukhikh, L. S. Kibis, S. V. Korenev

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Substitution of Praseodymium for Cadmium and Lead in the Structure of Pr5Mo3O16+δ Pr5Mo3O16+δ结构中镨取代镉和铅的研究

IF 1.5 3区化学

Russian Journal of Inorganic Chemistry Pub Date : 2025-07-09 DOI: 10.1134/S0036023624603179

A. O. Sidorenko, T. S. Berezhnaya, L. V. Pasechnik, I. Y. Ukleina, A. V. Guseva, K. A. Chebyshev

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First-Principles Insights into Structural, Electronic, Elastic, and Optical Behavior of AlGeX3 (X = Cl, Br) Perovskites AlGeX3 （X = Cl, Br）钙钛矿结构、电子、弹性和光学行为的第一性原理研究

IF 1.5 3区化学

Russian Journal of Inorganic Chemistry Pub Date : 2025-07-09 DOI: 10.1134/S0036023625601199

Sudipta Dash, Subhashree Mohanty, Gopinath Palai

{"title":"First-Principles Insights into Structural, Electronic, Elastic, and Optical Behavior of AlGeX3 (X = Cl, Br) Perovskites","authors":"Sudipta Dash, Subhashree Mohanty, Gopinath Palai","doi":"10.1134/S0036023625601199","DOIUrl":"10.1134/S0036023625601199","url":null,"abstract":"Halide perovskites have drawn considerable attention for their exceptional properties and the flexibility to fine-tune their composition. In this study, we use first-principles density functional theory (DFT) calculations with the WIEN2K code to investigate the structural, electronic, optical, and mechanical properties of cubic halide perovskites AlGeX3 (X = Cl, Br), exploring their potential for optoelectronic applications. Replacing Cl with Br alters the lattice parameters and unit cell volume, highlighting the role of halogen chemistry in shaping structural behavior. Electronic structure analysis confirms a direct bandgap, with values of 2.13 eV for AlGeCl3 and 1.96 eV for AlGeBr3, making them suitable for ultraviolet optoelectronics. Optical results reveal strong absorption, excellent electrical conductivity, and low reflectivity, making these materials promising for light-harvesting applications. Mechanical assessments, including bulk modulus (B), shear modulus (G), Young’s modulus (E), anisotropic factor (A), Poisson’s ratio, and Pugh’s ratio (B/G), confirm that these materials maintain a stable balance between stiffness and ductility. Additionally, the Debye temperature (θD) suggests strong thermal resilience, while formation energy calculations reinforce their thermodynamic stability. Overall, AlGeX3 (X = Cl, Br) emerges as a strong candidate for next-generation photodetectors and high-performance optoelectronic devices.","PeriodicalId":762,"journal":{"name":"Russian Journal of Inorganic Chemistry","volume":"70 7","pages":"1100 - 1108"},"PeriodicalIF":1.5,"publicationDate":"2025-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144896998","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}

引用次数: 0

Synthesis and Computational Elucidation of a New Dipicolinato-Vanadium(V) Complex: Crystal Structure, Hirsfeld Surface, FMO, MEP, and NCI Studies 一种新型二吡啶-钒(V)配合物的合成和计算解析：晶体结构、Hirsfeld表面、FMO、MEP和NCI研究

IF 1.5 3区化学

Russian Journal of Inorganic Chemistry Pub Date : 2025-07-09 DOI: 10.1134/S0036023625601424

Md Nur Hasan, Shibashis Halder, Amit Das, Mohammad Raish, Basudeb Dutta, Atanu Jana, Jagannath Pal, Mridula Guin, Saugata Konar

{"title":"Synthesis and Computational Elucidation of a New Dipicolinato-Vanadium(V) Complex: Crystal Structure, Hirsfeld Surface, FMO, MEP, and NCI Studies","authors":"Md Nur Hasan, Shibashis Halder, Amit Das, Mohammad Raish, Basudeb Dutta, Atanu Jana, Jagannath Pal, Mridula Guin, Saugata Konar","doi":"10.1134/S0036023625601424","DOIUrl":"10.1134/S0036023625601424","url":null,"abstract":"A new vanadium (V) complex [VO(dipic)(hpo)(H2O)] (1) (where “dipic” is dipicolinate and hpo is 1-(2-hydroxyphenyl)ethanone oxime) is synthesized with a oxime moiety and dipicolinato anion as ligands. Using single crystal X-ray diffraction technique, the structure of the complex 1 is determined. The theoretically optimized structure of the complex is obtained from DFT calculations predicting a distorted pentagonal-bipyramidal geometry. Theoretically predicted structure is in excellent match with the experimentally obtained structure utilizing X-ray single crystal diffraction analysis. Frontier molecular orbital (FMO) analysis, molecular electrostatic potential (MEP) are performed to understand the stability and reactivity characteristics of the complex. The simulated UV-Vis maximum absorption wavelength from TDDFT method is in excellent agreement with the experimentally observed λmax. Hirshfeld surface analysis indicates hydrogen bonding involving O–H( cdots )O interactions play major role in stabilizing the molecular crystal. Interesting non-covalent interactions are revealed by a thorough examination of the complex’s solid state architecture. In the solid state, strong self-assembled complex formation is dependent on hydrogen bonding interactions, V⋯O, and V⋯N interactions.","PeriodicalId":762,"journal":{"name":"Russian Journal of Inorganic Chemistry","volume":"70 7","pages":"1034 - 1046"},"PeriodicalIF":1.5,"publicationDate":"2025-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144897000","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}

引用次数: 0

Ionic Conductivity of the Three Solid Phases in the CaF2–HoF3 System: A Comparative Analysis CaF2-HoF3体系中三种固相离子电导率的比较分析

IF 1.5 3区化学

Russian Journal of Inorganic Chemistry Pub Date : 2025-07-09 DOI: 10.1134/S0036023625601096

N. I. Sorokin

{"title":"Ionic Conductivity of the Three Solid Phases in the CaF2–HoF3 System: A Comparative Analysis","authors":"N. I. Sorokin","doi":"10.1134/S0036023625601096","DOIUrl":"10.1134/S0036023625601096","url":null,"abstract":"A comparative analysis of ion transport mechanisms in crystals was carried out for three phases formed in the CaF2–HoF3 condensed system: a fluorite phase (the F-phase, CaF2 and Ca1–xHoxF2+x solid solution), a tysonite phase (the T-phase, Ho1–yCayF3–y solid solution), and a phase having the orthorhombic β-YF3 structure (the R-phase, HoF3). The ionic conductivity σdc(T) fundamental data gained in experiments on single-crystal samples was used to derive ionic conductivity versus composition and activation enthalpy of ion transfer versus composition dependences. A comparison of the properties of the components of the system under study shows that the conductivity of the HoF3 R-phase (σ500 K = 5 × 10−6 S/cm at 500 K) is five orders of magnitude that of the stoichiometric CaF2 F-phase. In the region of the Ca1–xHoxF2 + x (0 < x ≤ 0.35) nonstoichiometric F-phase, the interstitial mechanism of electrical conductivity occurs. The σ500 K increases as the HoF3 concentration increases to reach 4 × 10−5 S/cm at x = 0.35. The Ho1–yCayF3–y (y = 1 − x, x = 0.77) nonstoichiometric T-phase has σ500 K = 2 × 10−4 S/cm, which is five and 40 times as high as the electrical conductivity of the Ca0.65Ho0.35F2.35 F-phase and HoF3 R-phase, respectively. The reasons for the rapid anionic transport in the nonstoichiometric T-phase are the ion vacancy electrical conductivity and extensive heterovalent isomorphism of cations.","PeriodicalId":762,"journal":{"name":"Russian Journal of Inorganic Chemistry","volume":"70 5","pages":"657 - 665"},"PeriodicalIF":1.5,"publicationDate":"2025-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145163199","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}

引用次数: 0

Phase Equilibria in System Y2O3–SnO2 Y2O3-SnO2体系的相平衡

IF 1.5 3区化学

Russian Journal of Inorganic Chemistry Pub Date : 2025-07-09 DOI: 10.1134/S0036023624603969

M. A. Ryumin, G. E. Nikiforova, D. F. Kondakov

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Copper Ferrite Nanoparticles: Synthesis and Study of Their Photocatalytic Activity 铁酸铜纳米颗粒的合成及其光催化活性研究

IF 1.5 3区化学

Russian Journal of Inorganic Chemistry Pub Date : 2025-06-30 DOI: 10.1134/S0036023625600479

A. Y. Pavlikov, S. V. Saikova, D. V. Karpov, T. Y. Ivanenko, D. I. Nemkova

{"title":"Copper Ferrite Nanoparticles: Synthesis and Study of Their Photocatalytic Activity","authors":"A. Y. Pavlikov, S. V. Saikova, D. V. Karpov, T. Y. Ivanenko, D. I. Nemkova","doi":"10.1134/S0036023625600479","DOIUrl":"10.1134/S0036023625600479","url":null,"abstract":"Magnetic copper(II) ferrite nanoparticles are promising materials for biomedical, electronic, and photocatalytic applications. In this work, homogeneous spherical CuFe2O4 nanoparticles 18.3 ± 0.4 nm in size with a band gap of 2.37 eV have been synthesized by anion-exchange precipitation using an AV-17-8 anion-exchange resin in the OH form in the presence of dextran-40. The photocatalytic activity of the resulting material has been studied for photodegradation of a widely used anionic dye—indigo carmine—in the presence of sacrificial reagents: sodium citrate, carbonate, and hydrogen carbonate. Combined use of electron donors, sodium hydrogen carbonate and citrate, which reduce the probability of recombination of photogenerated holes and electrons, has turned out to be effective. The kinetic parameters of the process have been determined (pseudo-zero order, kapp. = 3.6 × 10–7 mol/(L min), T1/2 = 75.8 ± 2.3 min) and its mechanism has been elucidated. The intermediates of the photocatalytic oxidation of indigo carmine have been identified by NMR.","PeriodicalId":762,"journal":{"name":"Russian Journal of Inorganic Chemistry","volume":"70 4","pages":"604 - 615"},"PeriodicalIF":1.5,"publicationDate":"2025-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145171330","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}

引用次数: 0