Russian Journal of Physical Chemistry A最新文献

{"title":"Tris(Pentafluorophenyl)-2-Pyridilethylgermane: Synthesis, Identification, and Quantum Chemical Calculations","authors":"O. G. Zamyshlyaeva,&nbsp;R. V. Rumyantsev,&nbsp;G. K. Fukin,&nbsp;L. S. Medvedeva,&nbsp;S. S. Sologubov,&nbsp;A. V. Markin","doi":"10.1134/S0036024424701449","DOIUrl":"10.1134/S0036024424701449","url":null,"abstract":"<p>Hydrogermylation is used to obtain new compound, tris(pentafluorophenyl)-2-pyridylethylgermane. The structure is confirmed via IR and NMR spectroscopy, and X-ray diffraction analysis. Thermophysical properties are determined using DSC and TGA. Two polymorphic modifications (triclinic and monoclinic) of tris(pentafluorophenyl)-2-pyridylethylgermane are discovered. It is shown that the triclinic modification is more energetically advantageous than monoclinic modification. The topology of the electron density of tris(pentafluorophenyl)-2-pyridylethylgermane is studied theoretically and experimentally. an intramolecular Ge(1)-N(1) contact is discovered and its energy is estimated from the topology of electron density.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"98 10","pages":"2286 - 2297"},"PeriodicalIF":0.7,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142197374","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}

{"title":"Sorption of 1,2,3,4-Tetrahydroquinoline and Pyridazino[4,5-c]quinoline Derivatives under Conditions of Reversed-Phase High-Performance Liquid Chromatography","authors":"S. A. Ryzhkin,&nbsp;A. V. Kapitonov,&nbsp;S. V. Kurbatova,&nbsp;M. N. Zemtsova","doi":"10.1134/S0036024424701516","DOIUrl":"10.1134/S0036024424701516","url":null,"abstract":"<p>The authors study the laws governing the sorption of some derivatives of 1,2,3,4-tetrahydroquinoline and pyridazino[4,5-c]quinoline from water–acetonitrile solutions on an octadecyl-functionalized silica gel under reverse-phase high-performance liquid chromatography. The physicochemical characteristics and retention factors of sorbates at different acetonitrile concentrations in the eluent are determined. Dependences of the change in the retention factor as a function of sorbate structure and eluent composition are analyzed.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"98 10","pages":"2346 - 2354"},"PeriodicalIF":0.7,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142197379","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}

{"title":"EIS Study of Oxide Layer in Porous Tantalum","authors":"A. V. Syugaev,&nbsp;M. A. Eryomina","doi":"10.1134/S0036024424701528","DOIUrl":"10.1134/S0036024424701528","url":null,"abstract":"<p>Electrochemical impedance spectroscopy is used to study the effect of potential (<i>E</i>) on capacitance (<i>C</i>) of porous tantalum coated with a layer of amorphous Ta₂O₅. It is shown that there is a positive linear dependence 1/<i>C</i>² in a wide range of potentials, and its slope can be used to control an oxide layer in porous tantalum. It is established that the transformation of the oxide layer during annealing in the temperature range 100–700°C strongly affects 1/<i>C</i>²(<i>E</i>)-graphics. Annealing at temperatures of 100–500°C raises the concentration of oxygen vacancies in the oxide layer due to partial transfer of oxygen into tantalum, resulting in lower slope of the 1/<i>C</i>²(<i>E</i>) plots as compared with initial non-annealed sample. After annealing at temperatures of 600 and 700°C, a TaO phase forms in the oxide film, accompanied by a strong increase in capacitance and a weak dependence on potential due to the emergence of a high concentration of donors in the oxide film. The promise is shown of using 1/<i>C</i>²(<i>E</i>) dependences to control a layer of oxide in porous tantalum, which could be useful in tantalum capacitor technology.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"98 10","pages":"2355 - 2362"},"PeriodicalIF":0.7,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142197382","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}

{"title":"Effect of Synthesis Conditions and Doping on Properties of Hematite Nanostructures","authors":"Harsimranjot Kaur","doi":"10.1134/S0036024424701462","DOIUrl":"10.1134/S0036024424701462","url":null,"abstract":"<p>Pure and Co (10 mol %)-doped α-Fe₂O₃ (Hematite) nanostructures have been effectively synthesized by hydrothermal method. X-ray diffraction (XRD), scanning electron microscopy (SEM), and energy dispersive X-ray spectroscopy (EDS) have been used for the analysis of crystallography, morphology and functional groups of synthesized samples. The banding nature of synthesized samples is analyzed by Fourier transform infrared spectroscopy (FTIR). Powder XRD results reveal the formation of rhombohedral structured α-Fe₂O₃ nanostructures. Effect of dopant and synthesis conditions, such as precursor change and time duration of heating temperature has been investigated on the morphology of pure and Co (10 mol %)-doped α-Fe₂O₃ nanostructures. It has been observed that the addition of dopant, change of precursor and time duration of the heating temperature of hydrothermal treatment can effectively control the morphology of NPs. Methylene dye (MB) has been used as a test contaminant in aqueous solution to determine the photo-catalytic potential of Fe₂O₃ nanostructures under visible light.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"98 10","pages":"2302 - 2312"},"PeriodicalIF":0.7,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142197412","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}

{"title":"Acid–Base Properties and Adsorption Activity of Iron-Containing Composites in the Photocatalytic Degradation of Organic Pollutants","authors":"L. N. Skvortsova,&nbsp;I. A. Tikhonova,&nbsp;K. A. Dychko,&nbsp;T. S. Minakova,&nbsp;K. A. Bolgaru","doi":"10.1134/S0036024424701346","DOIUrl":"10.1134/S0036024424701346","url":null,"abstract":"<p>The autowave combustion of ferroalloys (ferrovanadium, aluminum ferrochrome, ferroaluminum silicocirconium) in nitrogen are used to determine the phase composition of iron-containing metal–ceramic composites based on nitrides of aluminum, chromium, and vanadium. The content of iron on the surfaces of the composites is measured via scanning electron microscopy using an X-ray micro analyzer. The Hammett and Tanabe indicator reveals that aprotic Lewis basic centers (p<i>K</i>_a −0.29) and strong acidic Brønsted centers (p<i>K</i>_a 2.01, 4.1) dominate on the surfaces of chromium nitride-based composites. The surfaces of the samples based on vanadium nitride have many acidic Brønsted centers (p<i>K</i>_a 1.3–5.5). The correlation between the adsorption activity of composites and the studied organic pollutants (metamizole, cinnarizine, methylene blue, and methyl orange), plus the type and number of acid-base active centers on the surfaces of the materials, testifies to the dominance of chemisorption, for which mechanisms are proposed. The strong oxidative destruction of organic pollutants (64–96%) upon UV irradiation is due to the adsorption properties of the composites and the combination of heterogeneous photocatalysis and the homogeneous Fenton process.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"98 10","pages":"2202 - 2210"},"PeriodicalIF":0.7,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142197351","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}

{"title":"Near-Infrared Emission Properties and LED Applications of Y2Ti2O7:Cr3+/Nd3+ Phosphors Improved by Doping with Ce3+ Ions","authors":"Shanshan Cong,&nbsp;Hongquan Yu,&nbsp;Xiao Gao,&nbsp;Zhanwen Han,&nbsp;Baojiu Chen,&nbsp;Jiashi Sun,&nbsp;Xiangping Li","doi":"10.1134/S0036024424701565","DOIUrl":"10.1134/S0036024424701565","url":null,"abstract":"<p>Near infrared (NIR) Y₂Ti₂O₇:Ce³⁺/Cr³⁺/Nd³⁺ phosphors were synthesized using a solid-state reaction technique. NIR luminescent performance of Y₂Ti₂O₇:Cr³⁺/Nd³⁺ phosphors was improved by doping with Ce³⁺ ions. The emission intensity of Y₂T₂O₇:Cr³⁺/Nd³⁺/Ce³⁺ phosphors is significantly higher than that of Y₂Ti₂O₇:Cr³⁺/Nd³⁺ phosphors. The external quantum efficiency and internal quantum efficiency of Y₂Ti₂O₇:0.5% Cr³⁺/0.7% Nd³⁺/1.5% Ce³⁺ are 16 and 22.8%, respectively. The luminescent mechanisms of the Y₂Ti₂O₇:Cr³⁺/Nd³⁺ and Y₂T₂O₇:Cr³⁺/Nd³⁺/Ce³⁺ phosphors were investigated. As a result, the effective energy transfer process from Cr³⁺ to Nd³⁺ ions exists in Y₂Ti₂O₇:Cr³⁺/Nd³⁺ phosphors, while the effective energy transfer process from Ce³⁺ to Cr³⁺ and Nd³⁺ ions exists in Y₂T₂O₇:Cr³⁺/Nd³⁺/Ce³⁺ phosphors. NIR emission intensities of LED devices assembled with Y₂Ti₂O₇:0.5% Cr³⁺/0.7% Nd³⁺/1.5% Ce³⁺ phosphors are better than those of LED devices assembled with Y₂Ti₂O₇:0.5% Cr³⁺/0.7% Nd³⁺ phosphors at different work currents. In addition, the temperature-sensitive behavior of Y₂Ti₂O₇:Cr³⁺/Nd³⁺ phosphors was also studied. Their LIR and <i>S</i>_a values monotonically increase in the temperature range of 303–393 K. The maximum <i>S</i>_a values of Y₂Ti₂O₇:0.5% Cr³⁺/0.5% Nd³⁺, Y₂Ti₂O₇:0.5% Cr³⁺/0.7% Nd³⁺, Y₂Ti₂O₇:0.5% Cr³⁺/1.0% Nd³⁺, Y₂Ti₂O₇:0.5% Cr³⁺/2.0% Nd³⁺ samples are 0.79 × 10^–2, 0.88 × 10^–2, 1.24 × 10^–4, and 2.53 × 10^–3 K^–1, respectively.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"98 10","pages":"2390 - 2399"},"PeriodicalIF":0.7,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142197409","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}

{"title":"Predicting the Thermodynamic Characteristics of New Products of N,N-Dimethylhydrazine Transformation in the Gas Phase","authors":"A. E. Karnaeva,&nbsp;I. V. Minenkova,&nbsp;O. I. Grinevich,&nbsp;Yu. V. Minenkov,&nbsp;A. A. Otletov,&nbsp;A. N. Stavrianidi,&nbsp;A. K. Buryak","doi":"10.1134/S0036024424701498","DOIUrl":"10.1134/S0036024424701498","url":null,"abstract":"<p>Thermodynamic characteristics are calculated for new products of the transformation of <i>N</i>,<i>N</i>‑dimethylhydrazine, the values of which can be used to reliably identify these compounds and predict their periods of retention. For the first time, the ideal gas–rigid rotator–harmonic oscillator approximation is used to predict entropies in the gas phase, and the Feller–Peterson–Dixon approach is used to obtain reliable enthalpies of formation in the gas phase for the considered compounds. Retention of the considered isomeric triazole derivatives under conditions of reverse phase high-performance liquid chromatography correlates well with the obtained values of thermodynamic characteristics.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"98 10","pages":"2333 - 2339"},"PeriodicalIF":0.7,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142197383","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}

{"title":"Optimized Acidic Sites Distribution for Selective Synthesis of Alkylated Decalins over Acid-Treated Ru/HZSM-5","authors":"Guiling Wu,&nbsp;Wenli Zhao,&nbsp;Xinyue Yang,&nbsp;Xiaopo Niu,&nbsp;Zhen Guo,&nbsp;Danni Liu,&nbsp;Qingfa Wang","doi":"10.1134/S003602442470136X","DOIUrl":"10.1134/S003602442470136X","url":null,"abstract":"<p>Producing high-density fuel of alkylated decalins from hydrodeoxygenation (HDO) of naphthalene derivatives is an environmentally friendly but still challenging method. Herein, a bifunctional Ru/HZSM-5 catalyst was fabricated by acid treatment (citric acid, oxalic acid, nitric acid) to effectively synthesize the alkylated decalins via HDO of naphthalene derivative. Acid treatment adjusted the acidic site distribution of Ru/HZSM-5. Nitric acid treatment (NA) resulted in more abundance of weak acidic sites which was beneficial for the dehydration process in HDO, and the lowest ratio of BAS/LAS to promote the hydrogenation of alkylated octalins, the rate-determining step of HDO. NA-treated Ru/HZSM-5 showed the highest HDO activity with the highest selectivity of 1,2-dimethyldecalin (74%). Besides, it also presents good HDO activity of naphthalene derivatives to produce high-density hydrocarbons. Therefore, Ru/HZ5-NA is a promising catalyst for the production of alkylated decalins and other high-value biofuels and chemicals.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"98 10","pages":"2219 - 2232"},"PeriodicalIF":0.7,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142225114","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}

{"title":"Photocatalytic Destruction of Ceftriaxone in Aqueous Solutions","authors":"M. R. Sizykh,&nbsp;A. A. Batoeva,&nbsp;K. D. Alekseev","doi":"10.1134/S0036024424701395","DOIUrl":"10.1134/S0036024424701395","url":null,"abstract":"<p>The kinetic tendencies in the destruction of cephalosporin antibiotics (ceftriaxone (CEF)) in photoinitiated oxidative systems were studied using a xenon lamp as a source of quasisolar radiation (UV–Vis). It was established that the oxidative systems under study can be arranged in the following series according to the efficiency and rate of antibiotic destruction: {UV–Vis/Fe²⁺/S₂O<span>(_{8}^{{2 - }})</span>} &gt; {Fe²⁺/S₂O<span>(_{8}^{{2 - }})</span>} <span>( gg )</span> {UV–Vis/S₂O<span>(_{8}^{{2 - }})</span>} &gt; {UV–Vis}. The optimum conditions for the oxidative destruction of CEF in the {UV–Vis/Fe²⁺/S₂O<span>(_{8}^{{2 - }})</span>} system are reached at [S₂O<span>(_{8}^{{2 - }})</span>] : [CEF] = 30 : 1 and [S₂O<span>(_{8}^{{2 - }})</span>] : [Fe²⁺] = 1 : 0.1. As the temperature increases to 40°C, the initial CEF oxidation rate and efficiency increase. The apparent activation energy of the CEF oxidation in the {UV–Vis/Fe²⁺/S₂O<span>(_{8}^{{2 - }})</span>} system was 45 kJ mol^–1, which is comparable to the values obtained for cephalosporin antibiotics. It was proved, using inhibitors of radical reactions, that the oxidative destruction of CEF in combined {UV–Vis/Fe²⁺/S₂O<span>(_{8}^{{2 - }})</span>} proceeds by a multiradical mechanism involving reactive oxygen species (ROS): hydroxyl radicals and sulfate and superoxide radical anions. The obtained tendencies are in good agreement with the results of open-air studies with natural solar radiation; in the {Solar/Fe²⁺/S₂O<span>(_{8}^{{2 - }})</span>} system, the oxidation of CEF is significantly intensified due to combined activation of persulfate by the iron ions, the UV-C (&lt;300 nm) component of natural solar radiation, and the thermal exposure. The results indicate that using the combined {Solar/Fe²⁺/S₂O<span>(_{8}^{{2 - }})</span>} oxidation system is promising for the destruction of antibiotics in order to reduce their release into the environment.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"98 10","pages":"2241 - 2247"},"PeriodicalIF":0.7,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142197352","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}

{"title":"Volume Effects in Interactions between L-Histidine and Pyridine Monocarboxylic Acid Isomers in an Aqueous Buffer Solution","authors":"E. Yu. Tyunina,&nbsp;G. N. Tarasova,&nbsp;I. N. Mezhevoi,&nbsp;D. R. Stavnova","doi":"10.1134/S0036024424701401","DOIUrl":"10.1134/S0036024424701401","url":null,"abstract":"<p>Densimetry is used to study the interaction between L-histidine (His) and nicotinic (NA), isonicotinic (INA), and picolinic acids (PA) in an aqueous buffer solution in the 288.15–313.15 K range of temperatures. Data on density are used to determine the apparent molar volumes and limiting apparent molar volumes of pyridine monocarboxylic acid (PyCOOH) isomers at infinite dilution, along with their temperature derivatives in a buffer solution containing the amino acid. Unlike the linear concentration dependences of the apparent molar volume of PyCOOH isomers in a buffer solution, the analogous dependences of ternary systems (PyCOOH–His–buffer) are nonlinear, indicating the formation of a molecular complex between the solutes. Limiting apparent molar expansibilities and their temperature derivatives are determined. Their values suggest that the ordering of the solvent grows in the series of isomers PA → NA → INA upon adding the amino acid to a buffer solution of PyCOOH. It is shown that the limiting apparent molar volumes of transferring PyCOOH from a buffer to a His-containing buffer solution have positive values and grow in the studied range of temperatures. The discussion of the results is based on the dominant types of molecular interactions between the solute and solvent using the Gurney model.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"98 10","pages":"2248 - 2255"},"PeriodicalIF":0.7,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142197369","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}