Pub Date : 2024-07-17DOI: 10.1134/s0036023623700377
V. P. Tolstoi, L. B. Gulina, E. E. Shilovskikh
Abstract
We are the first to show that 2D ZnO nanocrystals with the wurtzite structure and Mn3O4 nanocrystals with the hausmannite structure having perforated nanosheet (PNS) morphology can be prepared on the basis of compounds that are formed in reactions occurring on the surface of aqueous solutions of corresponding metal acetates exposed to gaseous NH3. Application of these nanocrystals on silicon makes the silicon surface hydrophobic in the case of ZnO and superhydrophilic in the case of Mn3O4. The proposed synthetic method can provide sequential and multiple deposition of these compounds on a substrate. Such “multilayers” can exhibit new properties.
{"title":"Two-Dimensional Zinc Oxide and Manganese(II, III) Oxide Nanocrystals Having Perforated Nanosheet Morphology Prepared by the Surface Hydrolysis of Mn(OAc)2 and Zn(OAc)2 Aqueous Solutions with Gaseous Ammonia","authors":"V. P. Tolstoi, L. B. Gulina, E. E. Shilovskikh","doi":"10.1134/s0036023623700377","DOIUrl":"https://doi.org/10.1134/s0036023623700377","url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>We are the first to show that 2D ZnO nanocrystals with the wurtzite structure and Mn<sub>3</sub>O<sub>4</sub> nanocrystals with the hausmannite structure having perforated nanosheet (PNS) morphology can be prepared on the basis of compounds that are formed in reactions occurring on the surface of aqueous solutions of corresponding metal acetates exposed to gaseous NH<sub>3</sub>. Application of these nanocrystals on silicon makes the silicon surface hydrophobic in the case of ZnO and superhydrophilic in the case of Mn<sub>3</sub>O<sub>4</sub>. The proposed synthetic method can provide sequential and multiple deposition of these compounds on a substrate. Such “multilayers” can exhibit new properties.</p>","PeriodicalId":762,"journal":{"name":"Russian Journal of Inorganic Chemistry","volume":"158 1","pages":""},"PeriodicalIF":2.1,"publicationDate":"2024-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141720035","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 : 2024-07-17DOI: 10.1134/s0036023623603021
M. O. Enikeeva, O. V. Proskurina, V. V. Gusarov
Abstract
Phase formation in the LaPO4–YPO4–(H2O) system have been studied under hydrothermal conditions at T ~ 230°C and after heat treatment in air in the temperature range 1000–1400°C. The phase equilibria diagram in the system has been constructed for the LaPO4–YPO4 system. The regions of metastable binodal and spinodal decomposition of a phase with a monazite structure with a critical point Tcr = 931°C have been calculated. The experimentally determined eutectic temperature of 1850 ± 35°C is in good agreement with the calculated value Te = 1820°C. The maximum solubility of YPO4 in LaPO4 at eutectic temperature obtained from the results of thermodynamic optimization of the phase diagram is 50.5 mol %.
{"title":"Phase Diagram and Metastable Phases in the LaPO4–YPO4–(H2O) System","authors":"M. O. Enikeeva, O. V. Proskurina, V. V. Gusarov","doi":"10.1134/s0036023623603021","DOIUrl":"https://doi.org/10.1134/s0036023623603021","url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>Phase formation in the LaPO<sub>4</sub>–YPO<sub>4</sub>–(H<sub>2</sub>O) system have been studied under hydrothermal conditions at <i>T</i> ~ 230°C and after heat treatment in air in the temperature range 1000–1400°C. The phase equilibria diagram in the system has been constructed for the LaPO<sub>4</sub>–YPO<sub>4</sub> system. The regions of metastable binodal and spinodal decomposition of a phase with a monazite structure with a critical point <i>T</i><sub>cr</sub> = 931°C have been calculated. The experimentally determined eutectic temperature of 1850 ± 35°C is in good agreement with the calculated value <i>T</i><sub>e</sub> = 1820°C. The maximum solubility of YPO<sub>4</sub> in LaPO<sub>4</sub> at eutectic temperature obtained from the results of thermodynamic optimization of the phase diagram is 50.5 mol %.</p>","PeriodicalId":762,"journal":{"name":"Russian Journal of Inorganic Chemistry","volume":"106 1","pages":""},"PeriodicalIF":2.1,"publicationDate":"2024-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141722570","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 : 2024-07-17DOI: 10.1134/s0036023623603070
L. B. Gulina, V. P. Tolstoy, I. V. Murin
Abstract
The formation and growth specifics of metal fluoride MF2 (where M = Ca, Sr, or Pb) and MF3 (where M = Sc, La, or Ln) crystals by reacting components of aqueous metal salt solutions with hydrogen fluoride gas at the planar solution–gas interface at room temperature are considered. Compounds with different crystal structures: PbF2 (space groups Pnma and Fm(bar {3})m), ScF3 (sp. gr. Pm(overline{3})m and P6/mmm), and LaF3 (space group (Pbar {3}c)1) were chosen as objects of study. The factors having a significant influence on the morphology, size, and ordering of the grown crystals have been identified. An opportunity to prepare 1D and 2D crystals has been shown for some compounds. Probable applications fields of nanomaterials based on the prepared compounds are analyzed. The conclusion is made about a potential of the interface technique for use in the design of new solid electrolytes, optically active materials, and functional coatings.
{"title":"Crystallization of New Inorganic Fluoride Nanomaterials at Soft Chemistry Conditions and Their Application Prospects","authors":"L. B. Gulina, V. P. Tolstoy, I. V. Murin","doi":"10.1134/s0036023623603070","DOIUrl":"https://doi.org/10.1134/s0036023623603070","url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>The formation and growth specifics of metal fluoride MF<sub>2</sub> (where M = Ca, Sr, or Pb) and MF<sub>3</sub> (where M = Sc, La, or Ln) crystals by reacting components of aqueous metal salt solutions with hydrogen fluoride gas at the planar solution–gas interface at room temperature are considered. Compounds with different crystal structures: PbF<sub>2</sub> (space groups <i>Pnma</i> and <i>Fm</i><span>(bar {3})</span><i>m</i>), ScF<sub>3</sub> (sp. gr. <i>Pm</i><span>(overline{3})</span><i>m</i> and <i>P</i>6/<i>mmm</i>), and LaF<sub>3</sub> (space group <span>(Pbar {3}c)</span>1) were chosen as objects of study. The factors having a significant influence on the morphology, size, and ordering of the grown crystals have been identified. An opportunity to prepare 1D and 2D crystals has been shown for some compounds. Probable applications fields of nanomaterials based on the prepared compounds are analyzed. The conclusion is made about a potential of the interface technique for use in the design of new solid electrolytes, optically active materials, and functional coatings.</p>","PeriodicalId":762,"journal":{"name":"Russian Journal of Inorganic Chemistry","volume":"28 1","pages":""},"PeriodicalIF":2.1,"publicationDate":"2024-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141720033","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}
Based on the excellent adsorption, photosensitization and electron transfer properties of biochar, this paper constructed a composite material with the synergic effect of adsorption and photocatalysis to realize the integrated adsorption-enrichment and degradation of Rh B. Hence, a novel efficient ZCS/Cu3P/AgCl adsorption-photocatalyst is synthesized and characterized by various testing methods. The efficient removal of dye Rh B is achieved through a synergistic effect between adsorption and photocatalytic degradation. Photocatalytic experiments showed that all the ZCS/Cu3P/AgCl composites with different AgCl content exhibit superior photocatalytic activity for Rh B degradation, and when the content of AgCl is 31%, the photocatalytic activity is the best. After 30 min of dark adsorption, 30% of Rh B was removed by adsorption, and 98.76% of Rh B was removed after continuous visible light irradiation for 20 min. The kinetic constant of 31%-ZCS/Cu3P/AgCl composite was 0.346 min–1, which is about 24.7 and 3.8 times that Cu3P (0.014 min–1) and AgCl (0.091 min–1), respectively. Moreover, photo-luminescence and photoelectrochemical experiment confirmed that the surface of ZCS/Cu3P/AgCl is exposed to more active sites, the charge separation process is enhanced and the photogenerated electron–hole recombination efficiency is reduced compared with Cu3P and AgCl. Finally, h+ and ·O(_{2}^{ - }) are identified the main active species in the photocatalytic reaction system, and a possible photocatalytic mechanism was put forward. ZCS/Cu3P/AgCl composites have excellent photocatalytic performance and recyclability, and are expected to be an important material to solve dye pollutants in water.
{"title":"Construction of ZCS/Cu3P/AgCl Composites for Enhanced Removal of Rhodamine B: Performance and Mechanism","authors":"Xiao-fang Li, Song-ze Wu, Jing Wang, Yue Ding, Xiao-qiang Feng","doi":"10.1134/s0036023624600308","DOIUrl":"https://doi.org/10.1134/s0036023624600308","url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>Based on the excellent adsorption, photosensitization and electron transfer properties of biochar, this paper constructed a composite material with the synergic effect of adsorption and photocatalysis to realize the integrated adsorption-enrichment and degradation of Rh B. Hence, a novel efficient ZCS/Cu<sub>3</sub>P/AgCl adsorption-photocatalyst is synthesized and characterized by various testing methods. The efficient removal of dye Rh B is achieved through a synergistic effect between adsorption and photocatalytic degradation. Photocatalytic experiments showed that all the ZCS/Cu<sub>3</sub>P/AgCl composites with different AgCl content exhibit superior photocatalytic activity for Rh B degradation, and when the content of AgCl is 31%, the photocatalytic activity is the best. After 30 min of dark adsorption, 30% of Rh B was removed by adsorption, and 98.76% of Rh B was removed after continuous visible light irradiation for 20 min. The kinetic constant of 31%-ZCS/Cu<sub>3</sub>P/AgCl composite was 0.346 min<sup>–1</sup>, which is about 24.7 and 3.8 times that Cu<sub>3</sub>P (0.014 min<sup>–1</sup>) and AgCl (0.091 min<sup>–1</sup>), respectively. Moreover, photo-luminescence and photoelectrochemical experiment confirmed that the surface of ZCS/Cu<sub>3</sub>P/AgCl is exposed to more active sites, the charge separation process is enhanced and the photogenerated electron–hole recombination efficiency is reduced compared with Cu<sub>3</sub>P and AgCl. Finally, h<sup>+</sup> and ·O<span>(_{2}^{ - })</span> are identified the main active species in the photocatalytic reaction system, and a possible photocatalytic mechanism was put forward. ZCS/Cu<sub>3</sub>P/AgCl composites have excellent photocatalytic performance and recyclability, and are expected to be an important material to solve dye pollutants in water.</p>","PeriodicalId":762,"journal":{"name":"Russian Journal of Inorganic Chemistry","volume":"35 1","pages":""},"PeriodicalIF":2.1,"publicationDate":"2024-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141551815","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 : 2024-07-03DOI: 10.1134/s0036023623603112
A. N. Kholomeydik, A. E. Panasenko
Abstract
Samples of sodium aluminosilicates obtained by hydrolytic precipitation using rice straw of various types as silicon-containing feedstock were studied. The particle morphology was determined by scanning electron microscopy, the specific surface area was measured (362–470 m2/g), IR spectra were recorded, and the chemical and phase composition of the samples was determined. The sorption properties of the materials towards lead ions were studied, the sorption capacity was 199–550 mg/g. An organic component of the samples, formed simultaneously with aluminosilicate precipitation from rice straw hydrolysates, was detected, isolated, and studied by thermogravimetry and IR spectroscopy. The effect of the organic component on the sorption capacity of plant-derived aluminosilicates was investigated. The predominant sorption mechanisms were established. The used approach makes it possible to obtain aluminosilicates with a high sorption capacity, as well as safely dispose of rice straw.
{"title":"Extraction of Pb2+ Ions by Sodium Aluminosilicates Synthesized from Rice Straw","authors":"A. N. Kholomeydik, A. E. Panasenko","doi":"10.1134/s0036023623603112","DOIUrl":"https://doi.org/10.1134/s0036023623603112","url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>Samples of sodium aluminosilicates obtained by hydrolytic precipitation using rice straw of various types as silicon-containing feedstock were studied. The particle morphology was determined by scanning electron microscopy, the specific surface area was measured (362–470 m<sup>2</sup>/g), IR spectra were recorded, and the chemical and phase composition of the samples was determined. The sorption properties of the materials towards lead ions were studied, the sorption capacity was 199–550 mg/g. An organic component of the samples, formed simultaneously with aluminosilicate precipitation from rice straw hydrolysates, was detected, isolated, and studied by thermogravimetry and IR spectroscopy. The effect of the organic component on the sorption capacity of plant-derived aluminosilicates was investigated. The predominant sorption mechanisms were established. The used approach makes it possible to obtain aluminosilicates with a high sorption capacity, as well as safely dispose of rice straw.</p>","PeriodicalId":762,"journal":{"name":"Russian Journal of Inorganic Chemistry","volume":"15 1","pages":""},"PeriodicalIF":2.1,"publicationDate":"2024-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141551820","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 : 2024-07-03DOI: 10.1134/s0036023623603458
A. Cihanbay, H. Sari, F. N. Al-Obaidi, H. Atabey
Abstract
A potentiometric investigation has been undertaken to illustrate the coordination competence of 4-(2-pyridylazo) resorcinol through its reaction with particular metal ions Zn2+, Cu2+, Ni2+, Co2+, Pb2+, and Hg2+, where metal complexes are formed in the solution. The dissociation constants of the ligand PAR are calculated together with the stability constants of its complexes with the above metal ions. The experimental conditions are controlled to achieve all measurements required in the solution (ethyl alcohol (10%) and water (90%)) at (25 ± 0.1)°C and an ionic background of 0.1 mol dm–3 NaCl. The ligand acts as a tri-dentate, coordinating through the pyridine nitrogen, one of the azo group nitrogen and the ortho-hydroxy of the resorcinol moiety. Four dissociation constants were identified experimentally with values 2.40, 3.34, 5.63, and 10.84. It has been observed that several metal complexes originated in the solution, under the mentioned experimental conditions for each metal ion used. The values of the overall stability constants log ßn for all species and the dissociation constants of the PAR ligand are determined using the HYPERQUAD-2008 computer program. All species present in the solution are displayed with the use of speciation diagrams.
{"title":"Coordination, Equilibria, and Stability of Zn(II), Cu(II), Ni(II), Co(II), Pb(II), and Hg(II) Metal Complexes with 4-(2-Pyridylazo)resorcinol in Aqueous/Ethanol Solutions","authors":"A. Cihanbay, H. Sari, F. N. Al-Obaidi, H. Atabey","doi":"10.1134/s0036023623603458","DOIUrl":"https://doi.org/10.1134/s0036023623603458","url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>A potentiometric investigation has been undertaken to illustrate the coordination competence of 4-(2-pyridylazo) resorcinol through its reaction with particular metal ions Zn<sup>2+</sup>, Cu<sup>2+</sup>, Ni<sup>2+</sup>, Co<sup>2+</sup>, Pb<sup>2+</sup>, and Hg<sup>2+</sup>, where metal complexes are formed in the solution. The dissociation constants of the ligand PAR are calculated together with the stability constants of its complexes with the above metal ions. The experimental conditions are controlled to achieve all measurements required in the solution (ethyl alcohol (10%) and water (90%)) at (25 ± 0.1)°C and an ionic background of 0.1 mol dm<sup>–3</sup> NaCl. The ligand acts as a tri-dentate, coordinating through the pyridine nitrogen, one of the azo group nitrogen and the <i>ortho</i>-hydroxy of the resorcinol moiety. Four dissociation constants were identified experimentally with values 2.40, 3.34, 5.63, and 10.84. It has been observed that several metal complexes originated in the solution, under the mentioned experimental conditions for each metal ion used. The values of the overall stability constants log ß<sub>n</sub> for all species and the dissociation constants of the PAR ligand are determined using the HYPERQUAD-2008 computer program. All species present in the solution are displayed with the use of speciation diagrams.</p>","PeriodicalId":762,"journal":{"name":"Russian Journal of Inorganic Chemistry","volume":"25 1","pages":""},"PeriodicalIF":2.1,"publicationDate":"2024-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141551848","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 : 2024-07-03DOI: 10.1134/s0036023623602982
N. A. Skorik, O. A. Vasilyeva, A. P. Lakeev
Abstract
The interaction in double and triple systems containing Fe3+ ion and biologically active compounds—succinic acid and/or certain amino acids (aminoacetic, glutamic, or aspartic)—have been studied by spectrophotometry, pH-potentiometry, and solubility. Composition and stability constants of homo- and mixed-ligand complexes at ionic strength I = 0.3 have been determined; iron(III) succinate with the composition of Fe2Suc3∙3H2O has been isolated, solubility constant of the salt log KS = –27.74 ± 0.12 has been determined using its solubility data. Redox process proceeded in time has been revealed in iron(III)–succinate anion system.
{"title":"Interaction of Iron(III) with Succinic Acid and Certain Amino Acids","authors":"N. A. Skorik, O. A. Vasilyeva, A. P. Lakeev","doi":"10.1134/s0036023623602982","DOIUrl":"https://doi.org/10.1134/s0036023623602982","url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>The interaction in double and triple systems containing Fe<sup>3+</sup> ion and biologically active compounds—succinic acid and/or certain amino acids (aminoacetic, glutamic, or aspartic)—have been studied by spectrophotometry, pH-potentiometry, and solubility. Composition and stability constants of homo- and mixed-ligand complexes at ionic strength <i>I</i> = 0.3 have been determined; iron(III) succinate with the composition of Fe<sub>2</sub>Suc<sub>3</sub>∙3H<sub>2</sub>O has been isolated, solubility constant of the salt log <i>K</i><sub><i>S</i></sub> = –27.74 ± 0.12 has been determined using its solubility data. Redox process proceeded in time has been revealed in iron(III)–succinate anion system.</p>","PeriodicalId":762,"journal":{"name":"Russian Journal of Inorganic Chemistry","volume":"19 1","pages":""},"PeriodicalIF":2.1,"publicationDate":"2024-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141551821","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 : 2024-07-03DOI: 10.1134/s0036023623602866
V. N. Serezhkin, M. S. Grigoriev, M. V. Sukacheva, V. Yu. Losev, L. B. Serezhkina
Abstract
The structures of crystals Na3[UO2(C2O4)F3]⋅4H2O (I), K3[UO2(C2O4)F3] (II), K3[UO2(C2O4)2F]⋅3H2O (III), and Cs[UO2(C2O4)F]⋅H2O (IV) were studied for the first time using X-ray diffraction. The uranium-containing structural units are complexes [UO2(C2O4)F3]3– (for I and II), [UO2(C2O4)2F]3– (III), and [UO2(C2O4)F]– (IV) with crystal chemical formulas А(В01)M(_{3}^{1}), А(В01)2M1, and А(Q02)M1 (A = ({text{UO}}_{{text{2}}}^{{{text{2 + }}}}); B01 or Q02 = ({{{text{C}}}_{{text{2}}}}{text{O}}_{{text{4}}}^{{2 - }}); M1 = F–), respectively. In all compounds, the U(VI) atoms implement a pentagonal-bipyramidal coordination; in I–II the uranyl complexes have a mononuclear structure, and in crystals IV they have a chain structure similar to that known for [UO2(C2O4)(H2O)]⋅2H2O. The results obtained suggest that the sharp increase in the solubility of uranyl oxalate trihydrate in aqueous solutions with the addition of fluorides is due to the effect of structural depolymerization of coordination polymers in the presence of fluoride ions. A semi-empirical calculation was performed and the calculated and experimental vibration frequencies in the IR spectra of II and IV were compared.
摘要 利用 X 射线衍射法首次研究了 Na3[UO2(C2O4)F3]⋅4H2O（I）、K3[UO2(C2O4)F3]（II）、K3[UO2(C2O4)2F]⋅3H2O（III）和 Cs[UO2(C2O4)F]⋅H2O（IV）晶体的结构。含铀的结构单元是[UO2(C2O4)F3]3- 复合物（I 和 II）、[UO2(C2O4)2F]3- 复合物（III）和[UO2(C2O4)F]- 复合物（III）、和[UO2(C2O4)F]- (IV)，其晶体化学式为 А(В01)M(_{3}^{1})、А(В01)2M1 和 А(Q02)M1（A = ({text{UO}}_{text{2}}^{{text{2 + }}}})；B01 或 Q02 = （{{text{C}}}_{{text{2}}}}text{O}}_{{text{4}}}^{{2 - }}）；M1 = F-）。在所有化合物中，U(VI) 原子都实现了五角双锥配位；在 I-II 中，铀酰配合物具有单核结构，而在晶体 IV 中，它们具有类似于已知 [UO2(C2O4)(H2O)]⋅2H2O 的链状结构。所得结果表明，草酸铀酰三水合物在水溶液中的溶解度随着氟化物的加入而急剧增加，这是由于配位聚合物在氟离子存在下的结构解聚效应。对 II 和 IV 进行了半经验计算，并比较了红外光谱中的计算振动频率和实验振动频率。
{"title":"Alkaline Metal Fluorooxalatouranilates: Structures and Selected Properties","authors":"V. N. Serezhkin, M. S. Grigoriev, M. V. Sukacheva, V. Yu. Losev, L. B. Serezhkina","doi":"10.1134/s0036023623602866","DOIUrl":"https://doi.org/10.1134/s0036023623602866","url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>The structures of crystals Na<sub>3</sub>[UO<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)F<sub>3</sub>]⋅4H<sub>2</sub>O (<b>I</b>), K<sub>3</sub>[UO<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)F<sub>3</sub>] (<b>II</b>), K<sub>3</sub>[UO<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>2</sub>F]⋅3H<sub>2</sub>O (<b>III</b>), and Cs[UO<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)F]⋅H<sub>2</sub>O (<b>IV</b>) were studied for the first time using X-ray diffraction. The uranium-containing structural units are complexes [UO<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)F<sub>3</sub>]<sup>3–</sup> (for <b>I</b> and <b>II</b>), [UO<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>2</sub>F]<sup>3–</sup> (<b>III</b>), and [UO<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)F]<sup>–</sup> (<b>IV</b>) with crystal chemical formulas А(В<sup>01</sup>)M<span>(_{3}^{1})</span>, А(В<sup>01</sup>)<sub>2</sub>M<sup>1</sup>, and А(Q<sup>02</sup>)M<sup>1</sup> (A = <span>({text{UO}}_{{text{2}}}^{{{text{2 + }}}})</span>; B<sup>01</sup> or Q<sup>02</sup> = <span>({{{text{C}}}_{{text{2}}}}{text{O}}_{{text{4}}}^{{2 - }})</span>; M<sup>1</sup> = F<sup>–</sup>), respectively. In all compounds, the U(VI) atoms implement a pentagonal-bipyramidal coordination; in <b>I</b>–<b>II</b> the uranyl complexes have a mononuclear structure, and in crystals <b>IV</b> they have a chain structure similar to that known for [UO<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)(H<sub>2</sub>O)]⋅2H<sub>2</sub>O. The results obtained suggest that the sharp increase in the solubility of uranyl oxalate trihydrate in aqueous solutions with the addition of fluorides is due to the effect of structural depolymerization of coordination polymers in the presence of fluoride ions. A semi-empirical calculation was performed and the calculated and experimental vibration frequencies in the IR spectra of <b>II</b> and <b>IV</b> were compared.</p>","PeriodicalId":762,"journal":{"name":"Russian Journal of Inorganic Chemistry","volume":"10 1","pages":""},"PeriodicalIF":2.1,"publicationDate":"2024-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141551842","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 : 2024-07-03DOI: 10.1134/s0036023623700365
E. N. Pechenkina, V. A. Krenev, S. V. Fomichev, D. F. Kondakov, E. I. Berbekova, A. A. Mikhailov
Abstract
The possibility of using energy-dispersive X-ray spectroscopy for quantification of the chemical composition of igneous rocks without their transfer into solution has been considered. Statistical processing of the measurement results has been carried out, and the error of the method in comparison with the inductively coupled plasma spectrometry method has been demonstrated.
摘要 研究了利用能量色散 X 射线光谱法对火成岩的化学成分进行定量分析的可能性。对测量结果进行了统计处理，并证明了该方法与电感耦合等离子体光谱法相比存在的误差。
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Pub Date : 2024-07-03DOI: 10.1134/s0036023624600722
R. Maizi, R. Ksouri, A. G. Boudjahem, M. Derdare, N. Cheghib, I. Djaghout
Abstract
We investigate the electronic, structural, elastic, and thermodynamic properties of X2TiBr6 (X = Li and Na) under pressure using the DFT calculations as implemented in the Quantum Espresso code. Generalized gradient approximation in the Perdew–Burke–Ernzerhof (PBE) form is used in this work. The calculated lattice parameters are 9.864 and 9.959 Å for Li2TiBr6 and Na2TiBr6, respectively. The structure bands of the Li2TiBr6 and Na2TiBr6 compounds indicate energy band gaps of 0.92 and 1.0 eV, respectively. Their value increases with increasing ionic radius from Li to Na. The elastic constants, bulk modulus, shear modulus; Young’s modulus, Pugh’s ratio, and Poisson’s ratio have also been computed. The studied compounds are thermodynamically stable, and their stability decreased with the increase of atomic radius. Pugh’s and Poisson’s ratios that were calculated show that Li2TiBr6 and Na2TiBr6 are ductile compounds. The results also show that the heat capacity at high temperatures of the two compounds was found to be 224 J mol–1 K–1.
{"title":"Electronic, Structural, Elastic, and Thermodynamic Properties of X2TiBr6 (X = Li and Na) under Pressure: A DFT Investigation","authors":"R. Maizi, R. Ksouri, A. G. Boudjahem, M. Derdare, N. Cheghib, I. Djaghout","doi":"10.1134/s0036023624600722","DOIUrl":"https://doi.org/10.1134/s0036023624600722","url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>We investigate the electronic, structural, elastic, and thermodynamic properties of X<sub>2</sub>TiBr<sub>6</sub> (X = Li and Na) under pressure using the DFT calculations as implemented in the Quantum Espresso code. Generalized gradient approximation in the Perdew–Burke–Ernzerhof (PBE) form is used in this work. The calculated lattice parameters are 9.864 and 9.959 Å for Li<sub>2</sub>TiBr<sub>6</sub> and Na<sub>2</sub>TiBr<sub>6</sub>, respectively. The structure bands of the Li<sub>2</sub>TiBr<sub>6</sub> and Na<sub>2</sub>TiBr<sub>6</sub> compounds indicate energy band gaps of 0.92 and 1.0 eV, respectively. Their value increases with increasing ionic radius from Li to Na. The elastic constants, bulk modulus, shear modulus; Young’s modulus, Pugh’s ratio, and Poisson’s ratio have also been computed. The studied compounds are thermodynamically stable, and their stability decreased with the increase of atomic radius. Pugh’s and Poisson’s ratios that were calculated show that Li<sub>2</sub>TiBr<sub>6</sub> and Na<sub>2</sub>TiBr<sub>6</sub> are ductile compounds. The results also show that the heat capacity at high temperatures of the two compounds was found to be 224 J mol<sup>–1</sup> K<sup>–1</sup>.</p>","PeriodicalId":762,"journal":{"name":"Russian Journal of Inorganic Chemistry","volume":"21 1","pages":""},"PeriodicalIF":2.1,"publicationDate":"2024-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141551844","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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