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Catalytic and Photocatalytic Activity of Metallic Silver Nanoplates in the Oxidation of Methylene Blue 金属银纳米片在氧化亚甲基蓝中的催化及光催化活性
IF 0.9 4区 化学
Theoretical and Experimental Chemistry Pub Date : 2026-01-24 DOI: 10.1007/s11237-026-09866-y
A. R. Kytsya, L. I. Bazylyak, I. Yu. Zavaliy
{"title":"Catalytic and Photocatalytic Activity of Metallic Silver Nanoplates in the Oxidation of Methylene Blue","authors":"A. R. Kytsya,&nbsp;L. I. Bazylyak,&nbsp;I. Yu. Zavaliy","doi":"10.1007/s11237-026-09866-y","DOIUrl":"10.1007/s11237-026-09866-y","url":null,"abstract":"<p>Monocrystalline nanoplates of metallic silver with a thickness of 8 nm have been obtained by galvanic reduction of Ag<sup>+</sup> on nickel nanoparticles (NiNPs) in aqueous solutions. It is found that under the studied conditions, the amount of reduced silver does not depend on the initial Ni:Ag ratio, which may indicate the passivation of NiNP surface during the process. The obtained Ni-Ag materials have been used as catalysts for the oxidation of methylene blue with hydrogen peroxide. It is shown that UV irradiation accelerates the catalytic oxidation of the dye by more than 100 times.</p>","PeriodicalId":796,"journal":{"name":"Theoretical and Experimental Chemistry","volume":"61 3","pages":"210 - 216"},"PeriodicalIF":0.9,"publicationDate":"2026-01-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146090990","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Photocatalytic Oxidation of CO Under Visible Light Irradiation Involving Binary Co3O4/P (Red Phosphorus) Heterostructures Co3O4/P（红磷）二元异质结构可见光下CO的光催化氧化研究
IF 0.9 4区 化学
Theoretical and Experimental Chemistry Pub Date : 2026-01-24 DOI: 10.1007/s11237-026-09863-1
M. L. Ovcharov, A. A. Bocharova, P. I. Glukhova, T. R. Stara
{"title":"Photocatalytic Oxidation of CO Under Visible Light Irradiation Involving Binary Co3O4/P (Red Phosphorus) Heterostructures","authors":"M. L. Ovcharov,&nbsp;A. A. Bocharova,&nbsp;P. I. Glukhova,&nbsp;T. R. Stara","doi":"10.1007/s11237-026-09863-1","DOIUrl":"10.1007/s11237-026-09863-1","url":null,"abstract":"<p>Binary heterostructures based on Co<sub>3</sub>O<sub>4</sub> and red phosphorus have been synthesized, and their morphology and spectral characteristics have been analyzed. According to SEM data, the formation of heterostructures is accompanied by the localization of an amorphous phase of red phosphorus (P<sub>red</sub>) on the surface of cobalt oxide. It is determined that the incorporation of 15 wt.%. of P<sub>red</sub> into Co<sub>3</sub>O<sub>4</sub> results in a CO photoconversion efficiency of 81% after 3 h of irradiation. A nonlinear dependence of the system’s photoactivity on light flux intensity is established. The effect of oxygen concentration on the efficiency of photocatalytic CO oxidation is studied.</p>","PeriodicalId":796,"journal":{"name":"Theoretical and Experimental Chemistry","volume":"61 3","pages":"180 - 190"},"PeriodicalIF":0.9,"publicationDate":"2026-01-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146090985","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Formation of Paramagnetic Complexes in the Reaction of Re(CO)5Br with Et3Al Re(CO)5Br与Et3Al反应中顺磁配合物的形成
IF 0.9 4区 化学
Theoretical and Experimental Chemistry Pub Date : 2026-01-24 DOI: 10.1007/s11237-026-09868-w
S. N. Osmanova, A. I. Rustamova, L. V. Huseynova, F. K. Pashayeva, A. N. Azizova, Z. M. Mammadova, E. H. Ismailov
{"title":"Formation of Paramagnetic Complexes in the Reaction of Re(CO)5Br with Et3Al","authors":"S. N. Osmanova,&nbsp;A. I. Rustamova,&nbsp;L. V. Huseynova,&nbsp;F. K. Pashayeva,&nbsp;A. N. Azizova,&nbsp;Z. M. Mammadova,&nbsp;E. H. Ismailov","doi":"10.1007/s11237-026-09868-w","DOIUrl":"10.1007/s11237-026-09868-w","url":null,"abstract":"<p>Using EPR spectroscopy, dynamic light scattering, chromato-mass spectrometry in situ, and DFT calculations, it has been shown that the reaction of a Re(CO)<sub>5</sub>Br dispersion in n-hexane with triethylaluminum (Et<sub>3</sub>Al) leads to the formation of a paramagnetic low-spin (S = 1/2) rhenium complex with a square-pyramidal geometry. The reaction is accompanied by the release of CO, C<sub>2</sub>H<sub>4</sub>, and C<sub>2</sub>H<sub>6</sub>.</p>","PeriodicalId":796,"journal":{"name":"Theoretical and Experimental Chemistry","volume":"61 3","pages":"224 - 232"},"PeriodicalIF":0.9,"publicationDate":"2026-01-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146090991","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
New Nanocomposite Materials Based On Palladium, Cobalt, and Nickel for Electrocatalytic Oxygen Reduction 电催化氧还原用新型钯、钴、镍纳米复合材料
IF 0.9 4区 化学
Theoretical and Experimental Chemistry Pub Date : 2026-01-23 DOI: 10.1007/s11237-026-09864-0
Yu. K. Pirskyy, F. D. Manilevych, A. V. Kutsyi, M. V. Karpets
{"title":"New Nanocomposite Materials Based On Palladium, Cobalt, and Nickel for Electrocatalytic Oxygen Reduction","authors":"Yu. K. Pirskyy,&nbsp;F. D. Manilevych,&nbsp;A. V. Kutsyi,&nbsp;M. V. Karpets","doi":"10.1007/s11237-026-09864-0","DOIUrl":"10.1007/s11237-026-09864-0","url":null,"abstract":"<p>By pyrolysis of homobinuclear hexamethylenediaminetetraacetate complexes of cobalt or nickel sorbed on activated carbon AG-3 together with potassium tetrachloropalladate, composite electrocatalysts for oxygen reduction have been synthesized. It is shown that in addition to a carbon support, the obtained materials contain nanosized particles of palladium, cobalt, or nickel, as well as mixed cobalt oxide, PdNi alloy, and palladium-cobalt particles, depending on the used precursors. As a result of polarization measurements in an alkaline solution on a “floating” gas diffusion electrode, surface-modified with such composite materials, it is established that a palladium-cobalt electrocatalyst is the most active. Its activity exceeds that of the palladium catalyst on a carbon support.</p>","PeriodicalId":796,"journal":{"name":"Theoretical and Experimental Chemistry","volume":"61 3","pages":"191 - 202"},"PeriodicalIF":0.9,"publicationDate":"2026-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146090989","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
UV-Induced Conformational Transformations of α-Substituted β-Ethoxyvinyl Trifluoromethyl Ketones in an Argon Matrix 紫外诱导α-取代β-乙氧基三氟甲基酮在氩气基质中的构象转变
IF 0.9 4区 化学
Theoretical and Experimental Chemistry Pub Date : 2026-01-23 DOI: 10.1007/s11237-026-09867-x
S. I. Vdovenko, I. I. Gerus, E. A. Fedorenko
{"title":"UV-Induced Conformational Transformations of α-Substituted β-Ethoxyvinyl Trifluoromethyl Ketones in an Argon Matrix","authors":"S. I. Vdovenko,&nbsp;I. I. Gerus,&nbsp;E. A. Fedorenko","doi":"10.1007/s11237-026-09867-x","DOIUrl":"10.1007/s11237-026-09867-x","url":null,"abstract":"<p>It is found that during UV irradiation of α-substituted β-ethoxyvinyltrifluoromethylketones C<sub>2</sub>H<sub>5</sub>O-CH=C(R)-COCF<sub>3</sub> (R = H, F, CH<sub>3</sub>) isolated in an argon matrix, interconversion processes of the corresponding conformers occur as a result of the hindered rotation of various functional groups around formally single bonds. At the same time, rotation is absent around the formally double C=C bond.</p>","PeriodicalId":796,"journal":{"name":"Theoretical and Experimental Chemistry","volume":"61 3","pages":"217 - 223"},"PeriodicalIF":0.9,"publicationDate":"2026-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146090987","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Discrimination of a Rate-Determining Step for a Process that Follows Langmuir–Rideal Mechanism langmuir - ideal机制过程中速率决定步骤的区分
IF 0.9 4区 化学
Theoretical and Experimental Chemistry Pub Date : 2026-01-23 DOI: 10.1007/s11237-026-09865-z
O. O. Zhokh, A. I. Trypolskyi, P. E. Strizhak
{"title":"Discrimination of a Rate-Determining Step for a Process that Follows Langmuir–Rideal Mechanism","authors":"O. O. Zhokh,&nbsp;A. I. Trypolskyi,&nbsp;P. E. Strizhak","doi":"10.1007/s11237-026-09865-z","DOIUrl":"10.1007/s11237-026-09865-z","url":null,"abstract":"<p>Based on the analytical and numerical analysis of the reaction-diffusion equation with a nonlinear reaction term, it is shown that the derivation of the concentration dependence of the effectiveness factor (ratio between the process rate under internal diffusion limitations and the intrinsic process rate) allows discriminating of a rate-determining step of a heterogeneous catalytic process that follows Langmuir–Rideal mechanism. The applicability of this approach is demonstrated for the identification of the rate-determining step for the process of methanol dehydration over alumina.</p>","PeriodicalId":796,"journal":{"name":"Theoretical and Experimental Chemistry","volume":"61 3","pages":"203 - 209"},"PeriodicalIF":0.9,"publicationDate":"2026-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146090986","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Descriptors of Intermolecular Interaction of π-Conjugated Nitrogen-Containing Heterocycles with Amino Acid Residues of Polypeptides π共轭含氮杂环与多肽氨基酸残基分子间相互作用的描述符
IF 0.9 4区 化学
Theoretical and Experimental Chemistry Pub Date : 2025-12-02 DOI: 10.1007/s11237-025-09856-6
V. S. Brovarets, N. V. Obernikhina, O. D. Kachkovsky
{"title":"Descriptors of Intermolecular Interaction of π-Conjugated Nitrogen-Containing Heterocycles with Amino Acid Residues of Polypeptides","authors":"V. S. Brovarets,&nbsp;N. V. Obernikhina,&nbsp;O. D. Kachkovsky","doi":"10.1007/s11237-025-09856-6","DOIUrl":"10.1007/s11237-025-09856-6","url":null,"abstract":"<p>A method for the evaluation of intermolecular interactions between drug molecules and biomolecule fragments is proposed based on binding energy as a descriptor that quantitatively characterizes the affinity of potentially active molecules. A fragment-to-fragment approach was proposed to calculate the binding energy. This approach served as the next stage of substrate interaction modeling with biological targets after the molecular docking method. Quantum-chemical modeling was performed within the framework of the non-empirical DFT method. The approach can be recommended for preliminary affinity assessment at the molecular design stage of new biologically active heterocyclic compounds.</p>","PeriodicalId":796,"journal":{"name":"Theoretical and Experimental Chemistry","volume":"61 2","pages":"99 - 113"},"PeriodicalIF":0.9,"publicationDate":"2025-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145698391","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Compositionally Complex Oxide Dielectrics for Microwave Applications: Current Status and Future Trends: A Review 微波复合氧化物介电材料的现状与发展趋势
IF 0.9 4区 化学
Theoretical and Experimental Chemistry Pub Date : 2025-12-01 DOI: 10.1007/s11237-025-09855-7
O. I. V’yunov, A. G. Belous
{"title":"Compositionally Complex Oxide Dielectrics for Microwave Applications: Current Status and Future Trends: A Review","authors":"O. I. V’yunov,&nbsp;A. G. Belous","doi":"10.1007/s11237-025-09855-7","DOIUrl":"10.1007/s11237-025-09855-7","url":null,"abstract":"<p>A review of the current state and prospects for the study of compositionally complex oxide (CCO) materials containing high-entropy oxides (HEO) and medium-entropy mixed oxides (MEMO) as dielectrics for microwave applications is presented. Fundamental approaches to the formation of stable solid solutions are considered, in particular, selection criteria for the structural type (perovskite, spinel, and garnet), cationic composition, as well as thermodynamic formation conditions. Experimental data on CCO dielectric properties in different dielectric constant ranges (ε) compared to traditional microwave dielectrics are analyzed. It is shown that CCO systems exhibit a unique combination of phase stability, controllable parameters ε, <i>Qf</i>, and frequency temperature stability τ<sub><i>f</i></sub>, and also have the potential for development of next-generation microwave components. Considerable attention is paid to methods for predicting stability and dielectric properties, such as thermodynamic, quantum-chemical, and methods with elements of machine learning.</p>","PeriodicalId":796,"journal":{"name":"Theoretical and Experimental Chemistry","volume":"61 2","pages":"79 - 98"},"PeriodicalIF":0.9,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145698428","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Mechanochemical Modification of Vanadium Phosphorus Oxide Catalysts of Ethane Oxidative Dehydrogenation to Ethylene 乙烷氧化脱氢制乙烯钒磷氧化物催化剂的机械化学改性
IF 0.9 4区 化学
Theoretical and Experimental Chemistry Pub Date : 2025-11-29 DOI: 10.1007/s11237-025-09859-3
V. O. Zazhigalov, O. A. Diyuk, I. V. Bacherikova, N. S. Kopachevska
{"title":"Mechanochemical Modification of Vanadium Phosphorus Oxide Catalysts of Ethane Oxidative Dehydrogenation to Ethylene","authors":"V. O. Zazhigalov,&nbsp;O. A. Diyuk,&nbsp;I. V. Bacherikova,&nbsp;N. S. Kopachevska","doi":"10.1007/s11237-025-09859-3","DOIUrl":"10.1007/s11237-025-09859-3","url":null,"abstract":"<p>Two-stage mechanochemical treatment (MCT) of initial vanadium oxide and vanadyl hydrogen phosphate hemihydrate (VO(HPO<sub>4</sub>)·0.5H<sub>2</sub>O) permits to obtain the catalysts of ethane oxidative dehydrogenation (ODE) to ethylene with higher product yield and productivity. The V<sub>2</sub>O<sub>5</sub>, VO(HPO<sub>4</sub>)·0.5H<sub>2</sub>O samples (both initial and after MCT in air and ethanol) have been characterized by XRD, SEM, XPS and nitrogen adsorption technique. Activation of the catalysts by the reaction mixture leads to vanadyl pyrophosphate (VO)<sub>2</sub>P<sub>2</sub>O<sub>7</sub> (VPP) obtaining. After activation of VO(HPO<sub>4</sub>)·0.5H<sub>2</sub>O (MCT in air), the VPP mainly forms with an orientation along the (001) plane. These catalysts demonstrate higher results in ODE: 28-30% yield of ethylene and 0.15-0.16 g/(g·h) product productivity.</p>","PeriodicalId":796,"journal":{"name":"Theoretical and Experimental Chemistry","volume":"61 2","pages":"131 - 140"},"PeriodicalIF":0.9,"publicationDate":"2025-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145698510","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Effect of Nanostructuring in Nanocomposites of Carbon Nanotubes with poly(3-methylthiophene) on their Physico-Chemical and Sensor Properties 碳纳米管-聚（3-甲基噻吩）纳米复合材料的纳米结构对其物理化学和传感器性能的影响
IF 0.9 4区 化学
Theoretical and Experimental Chemistry Pub Date : 2025-11-28 DOI: 10.1007/s11237-025-09857-5
M. O. Ogurtsov, O. S. Kruglyak, M. V. Borysenko, O. A. Pud
{"title":"Effect of Nanostructuring in Nanocomposites of Carbon Nanotubes with poly(3-methylthiophene) on their Physico-Chemical and Sensor Properties","authors":"M. O. Ogurtsov,&nbsp;O. S. Kruglyak,&nbsp;M. V. Borysenko,&nbsp;O. A. Pud","doi":"10.1007/s11237-025-09857-5","DOIUrl":"10.1007/s11237-025-09857-5","url":null,"abstract":"<p>The role of nanostructuring of a conductive polymer phase and the nature of a dopant in composites of carbon nanotubes (CNTs) and poly(3-methylthiophene) (P3MT) with core-shell morphology is considered. It is found that sharp changes occur in the crystallinity of the P3MT phase of the composite at a polymer shell thickness of ~9 monomolecular layers; sharp changes occur in its thermal stability, electrical conductivity, and spectral characteristics at 4-6 layers; and sharp changes occur in the magnitude of sensor responses to isopropanol vapor and their time at ~3 layers. It is shown that the nature of a surface active dopant (anions of dodecylbenzenesulfonic and perfluorooctanoic acids) significantly affects the crystallinity, doping degree, and thermal stability of P3MT in composites, as well as the charge transfer from CNTs to doped P3MT.</p>","PeriodicalId":796,"journal":{"name":"Theoretical and Experimental Chemistry","volume":"61 2","pages":"114 - 122"},"PeriodicalIF":0.9,"publicationDate":"2025-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145698504","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
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