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Relationship Between the Metallicity Index and Other Topological Characteristics of Chemical Bonding 金属性指数与化学键的其他拓扑特征之间的关系
IF 1.2 4区 化学
Journal of Structural Chemistry Pub Date : 2024-11-11 DOI: 10.1134/S0022476624100032
R. E. Afaunov, I. V. Mirzaeva, S. G. Kozlova
{"title":"Relationship Between the Metallicity Index and Other Topological Characteristics of Chemical Bonding","authors":"R. E. Afaunov,&nbsp;I. V. Mirzaeva,&nbsp;S. G. Kozlova","doi":"10.1134/S0022476624100032","DOIUrl":"10.1134/S0022476624100032","url":null,"abstract":"<p>Expressions are derived for the relationship between the metallicity index <sub><i>m</i></sub> with the ratio of the absolute value of the potential electron energy density (<i>V</i>) to the kinetic energy density (<i>G</i>) at the bond critical point (BCP) using the quantum theory of atoms in molecules (QTAIM) and the electron localization function (ELF) value at the BCP. It is found that the ELF maximum (ELF<sup>BCP</sup> = 1) is achieved at <span>(xi _{m}^{text{BCP}}=-4)</span>. It is shown that calculated <span>(xi _{m}^{text{BCP}})</span> values should not exist in a range <span>(-4&lt;xi _{m}^{text{BCP}}&lt;-1)</span>. The <span>(xi _{m}^{text{BCP}})</span> values are calculated and analyzed for some simple molecules and crystals.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"65 10","pages":"1903 - 1913"},"PeriodicalIF":1.2,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142598893","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
SiCx:H and SiCxNy:H Amorphous Films Prepared from Hexamethyldisilane Vapors 利用六甲基二硅烷蒸汽制备 SiCx:H 和 SiCxNy:H 无定形薄膜
IF 1.2 4区 化学
Journal of Structural Chemistry Pub Date : 2024-11-11 DOI: 10.1134/S0022476624100147
M. N. Chagin, E. N. Ermakova, V. R. Shayapov, V. S. Sulyaeva, I. V. Yushina, E. A. Maksimovskiy, S. P. Dudkina, A. A. Saraev, E. Y. Gerasimov, K. P. Mogilnikov, A. N. Kolodin, M. L. Kosinova
{"title":"SiCx:H and SiCxNy:H Amorphous Films Prepared from Hexamethyldisilane Vapors","authors":"M. N. Chagin,&nbsp;E. N. Ermakova,&nbsp;V. R. Shayapov,&nbsp;V. S. Sulyaeva,&nbsp;I. V. Yushina,&nbsp;E. A. Maksimovskiy,&nbsp;S. P. Dudkina,&nbsp;A. A. Saraev,&nbsp;E. Y. Gerasimov,&nbsp;K. P. Mogilnikov,&nbsp;A. N. Kolodin,&nbsp;M. L. Kosinova","doi":"10.1134/S0022476624100147","DOIUrl":"10.1134/S0022476624100147","url":null,"abstract":"<p>Amorphous transparent SiC<sub><i>x</i></sub>:H and SiC<sub><i>x</i></sub>N<sub><i>y</i></sub>:H films are prepared at a temperature of 200 °C and a discharge power of 200 W in an inductively coupled RF plasma reactor using hexamethyldisilane vapors and additional argon and/or nitrogen gases. The influence of N<sub>2</sub> flow rate on the morphology, chemical structure, elemental composition, transmittance, refractive index, contact angle, and film deposition rate is studied. Plasma components are determined by optical emission spectroscopy. It is shown by HRTEM and EDS mapping methods that the annealed Cu/SiC<sub><i>x</i></sub>:H/Si(100) sample has distinct substrate/film and film/copper layer interfaces, no Cu diffusion occurs, and that the SiC<sub><i>x</i></sub>:H the film can be considered as a promising diffusion barrier layer. Stability of the films during storage under ambient conditions is studied. The tendency of SiC<sub><i>x</i></sub>N<sub><i>y</i></sub>:H films to oxidize is revealed by EDS, IR spectroscopy, and XPS.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"65 10","pages":"2041 - 2057"},"PeriodicalIF":1.2,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142598821","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
Indium–Gallium–Zinc Oxide: Influence of the Complexing Agent on the Structure 铟镓锌氧化物：络合剂对结构的影响
IF 1.2 4区 化学
Journal of Structural Chemistry Pub Date : 2024-11-11 DOI: 10.1134/S0022476624100111
G. M. Zirnik, S. A. Sozykin, A. S. Chernukha, I. A. Solizoda, S. A. Gudkova, D. A. Vinnik
{"title":"Indium–Gallium–Zinc Oxide: Influence of the Complexing Agent on the Structure","authors":"G. M. Zirnik,&nbsp;S. A. Sozykin,&nbsp;A. S. Chernukha,&nbsp;I. A. Solizoda,&nbsp;S. A. Gudkova,&nbsp;D. A. Vinnik","doi":"10.1134/S0022476624100111","DOIUrl":"10.1134/S0022476624100111","url":null,"abstract":"<p>The In<sub>2</sub>O<sub>3</sub>–Ga<sub>2</sub>O<sub>3</sub>–ZnO ternary oxide is prospective for electronics applications. Promising methods of fabricating In<sub>2</sub>O<sub>3</sub>–Ga<sub>2</sub>O<sub>3</sub>–ZnO based transistors require a technique for the preparation of X-ray pure powders. Data on the influence of the studied organic complexing agent on the morphology of obtained powders are reported. It is shown that ethylene glycol is more preferable to use than citric acid since the powders prepared in the first case contain no admixture phases.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"65 10","pages":"2004 - 2013"},"PeriodicalIF":1.2,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142598800","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
L-Cysteine Oxalates with Dimeric and Trimeric Cations 具有二聚和三聚阳离子的 L-半胱氨酸草酸盐
IF 1.2 4区 化学
Journal of Structural Chemistry Pub Date : 2024-11-11 DOI: 10.1134/S0022476624100172
V. V. Ghazaryan, G. Giester, V. S. Minkov, E. V. Boldyreva, A. M. Petrosyan
{"title":"L-Cysteine Oxalates with Dimeric and Trimeric Cations","authors":"V. V. Ghazaryan,&nbsp;G. Giester,&nbsp;V. S. Minkov,&nbsp;E. V. Boldyreva,&nbsp;A. M. Petrosyan","doi":"10.1134/S0022476624100172","DOIUrl":"10.1134/S0022476624100172","url":null,"abstract":"<p>Single crystals of two new compounds, (L-CysH⋯L-Cys)(HC<sub>2</sub>O<sub>4</sub>) (<b>I</b>) and (L-CysH⋯L-Cys⋯L-CysH)(HC<sub>2</sub>O<sub>4</sub>)<sub>2</sub>·0.5H<sub>2</sub>O (<b>II</b>), were obtained. Crystal structures were solved and refined using single-crystal X-ray diffraction, and compared with the previously known orthorhombic and monoclinic modifications of the simple salt (L-CysH)(HC<sub>2</sub>O<sub>4</sub>). Compound <b>I</b> crystallizes in the triclinic crystal system (space group <i>P</i>1, <i>Z </i>= 2) and contains (L-CysH⋯L-Cys) dimeric cations with very short O⋯O interatomic distance of 2.434(2) Å. Hydrogen oxalate anions form head-to-tail type chains with very short hydrogen bonds, characterized by O⋯O distances of 2.422(2) Å and 2.417(3) Å. The crystal lattice of <b>II</b> is monoclinic with the space group <i>C</i>2, Z = 4. It contains a new type of cation, that has never been observed before for cysteine salts, <i>i.e</i>. trimeric (L-CysH⋯L-Cys⋯L-CysH) cation. Protonated L-cysteinium cations are connected to the zwitterionic L-cysteine moiety through the same oxygen atom of the carboxylate group <i>via</i> hydrogen bonds, with O···O distances of 2.6410(18) Å and 2.4888(19) Å. Similar to the structure <b>I</b>, the hydrogen oxalate anions form head-to-tail type chains linked by short hydrogen bonds with O⋯O distances of 2.4369(17) Å and 2.4330(17) Å, respectively. The crystals were characterized by IR and Raman spectroscopy. The batches obtained on crystallization were also characterized by X-ray powder diffraction, in order to check the phase purity of all the sample.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"65 10","pages":"2088 - 2100"},"PeriodicalIF":1.2,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142598789","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 the Water Pulse Duration on the Stoichiometry of HfOx Films Obtained from Tetrakis(Dimethylamino)Hafnium 水脉冲持续时间对四(二甲基氨基)铪薄膜化学计量学的影响
IF 1.2 4区 化学
Journal of Structural Chemistry Pub Date : 2024-11-11 DOI: 10.1134/S0022476624100184
K. I. Litvinova, V. S. Polomskikh, A. V. Goryachev, A. A. Shibalova, G. A. Rudakov
{"title":"Effect of the Water Pulse Duration on the Stoichiometry of HfOx Films Obtained from Tetrakis(Dimethylamino)Hafnium","authors":"K. I. Litvinova,&nbsp;V. S. Polomskikh,&nbsp;A. V. Goryachev,&nbsp;A. A. Shibalova,&nbsp;G. A. Rudakov","doi":"10.1134/S0022476624100184","DOIUrl":"10.1134/S0022476624100184","url":null,"abstract":"<p>We present the results of studying HfO<sub><i>x</i></sub> films formed from tetrakis(dimethylamino)hafnium with different times of water supply pulses. The stoichiometry of the samples obtained is estimated by spectral ellipsometry and Auger electron spectroscopy. It is shown that an increase in the water supply duration promotes an increase in the <i>x</i> value in the HfO<sub><i>x</i></sub> layer. When the time of water supply pulses varies from 10 ms to 1000 ms, <i>x</i> values ranging from 1.76 to 1.84 are obtained. A method based on the refractive index is proposed to estimate the stoichiometry of HfO<sub><i>x</i></sub> layers.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"65 10","pages":"2101 - 2110"},"PeriodicalIF":1.2,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142598790","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
Samarium Hydrogen Iodate, Sm(IO3)3·HIO3: Synthesis and Characterization 碘酸钐，Sm(IO3)3-HIO3：合成与表征
IF 1.2 4区 化学
Journal of Structural Chemistry Pub Date : 2024-11-11 DOI: 10.1134/S0022476624100068
O. P. Grigorieva, T. B. Shatalova, P. S. Berdonosov, D. O. Charkin, A. A. Gippius, A. V. Tkachev, E. A. Kravchenko, V. A. Dolgikh, K. A. Lyssenko
{"title":"Samarium Hydrogen Iodate, Sm(IO3)3·HIO3: Synthesis and Characterization","authors":"O. P. Grigorieva,&nbsp;T. B. Shatalova,&nbsp;P. S. Berdonosov,&nbsp;D. O. Charkin,&nbsp;A. A. Gippius,&nbsp;A. V. Tkachev,&nbsp;E. A. Kravchenko,&nbsp;V. A. Dolgikh,&nbsp;K. A. Lyssenko","doi":"10.1134/S0022476624100068","DOIUrl":"10.1134/S0022476624100068","url":null,"abstract":"<p>Samarium hydrogen iodate Sm(IO<sub>3</sub>)<sub>3</sub>·HIO<sub>3</sub> was successfully synthesized by the unconventional low-temperature solution-melt method, its structure was determined by X-ray diffraction analysis of single crystals. This compound crystallizes in the monoclinic space group <i>P</i>2<sub>1</sub>/<i>c</i> with lattice parameters: <i>a</i> = 10.4637(6) Å, <i>b</i> = 7.4629(5) Å, <i>c</i> = 14.0174(13) Å, β = 110.53(0), <i>Z</i> = 6. In the studied structure, samarium atoms are surrounded by 8 oxygen atoms in a polyhedron in the form of a distorted square antiprism. The iodate groups are linked through common oxygen atoms of the SmO<sub>8</sub> antiprism into a three-dimensional framework. The compound was characterized by X-ray diffraction, IR and NQR spectroscopy and EDX analysis.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"65 10","pages":"1942 - 1949"},"PeriodicalIF":1.2,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142598799","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
Synthesis, X-Ray Crystal Structures and Catalytic Epoxidation of Oxidovanadium(V) Complexes Derived from N’-(5-Chloro-2-Hydroxybenzylidene)-3-Methylbenzohydrazide N'-(5-氯-2-羟基亚苄基)-3-甲基苯甲酰肼衍生氧化钒(V)配合物的合成、X 射线晶体结构和催化环氧化作用
IF 1.2 4区 化学
Journal of Structural Chemistry Pub Date : 2024-11-11 DOI: 10.1134/S002247662410010X
D. -H. Zou, M. Liang, W. Chen
{"title":"Synthesis, X-Ray Crystal Structures and Catalytic Epoxidation of Oxidovanadium(V) Complexes Derived from N’-(5-Chloro-2-Hydroxybenzylidene)-3-Methylbenzohydrazide","authors":"D. -H. Zou,&nbsp;M. Liang,&nbsp;W. Chen","doi":"10.1134/S002247662410010X","DOIUrl":"10.1134/S002247662410010X","url":null,"abstract":"<p>An aroylhydrazone compound <i>N</i>’-(5-chloro-2-hydroxybenzylidene)-3-methylbenzohydrazide (H<sub>2</sub>L) has been synthesized and characterized by elemental analysis, infrared and electronic spectra, and <sup>1</sup>H NMR spectrum. With the aroylhydrazone and maltol (HL<sup>a</sup>) or ethyl maltol (HL<sup>b</sup>) as ligands, two oxidovanadium(V) complexes, [VOLL<sup>a</sup>] (1) and [VOLL<sup>b</sup>] (2), have been synthesized and characterized by elemental analysis, infrared and electronic spectra, and <sup>1</sup>H NMR spectra. Structures of the complexes were further confirmed by single crystal X-ray determination. The V atoms in the complexes are coordinated by the ONO donor atoms of the aroylhydrazone ligand L, OO donor atoms of maltolate (L<sup>a</sup>) or ethyl maltolate (L<sup>b</sup>) ligand, and one oxido O atom, forming octahedral coordination. The complexes function as effective olefin epoxidation catalysts with hydrogen peroxide as terminal oxidant and sodium hydrogen carbonate as a co-catalyst.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"65 10","pages":"1994 - 2003"},"PeriodicalIF":1.2,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142598796","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
Crystal Structure and Topological Features of Two New Indene Derivatives 两种新茚衍生物的晶体结构和拓扑特征
IF 1.2 4区 化学
Journal of Structural Chemistry Pub Date : 2024-11-11 DOI: 10.1134/S0022476624100135
V. E. Kireev, A. M. Banaru, V. A. Bataev, D. S. Kononovich, A. Z. Voskoboynikov, S. M. Aksenov
{"title":"Crystal Structure and Topological Features of Two New Indene Derivatives","authors":"V. E. Kireev,&nbsp;A. M. Banaru,&nbsp;V. A. Bataev,&nbsp;D. S. Kononovich,&nbsp;A. Z. Voskoboynikov,&nbsp;S. M. Aksenov","doi":"10.1134/S0022476624100135","DOIUrl":"10.1134/S0022476624100135","url":null,"abstract":"<p>7-Bromo-5-(<i>tert</i>-butyl)-2-phenyl-1<i>H</i>-indene (<b>1</b>) and 6,7-dibromo-2,4-dimethyl-2,3-dihydro-1<i>H</i>-inden-1-one (<b>2</b>) are analyzed by single crystal X-ray diffraction. The conformational structure, vibrational spectrum of molecules, topology and hierarchical complexity of crystal structures are discussed. The structure of <b>1</b> is layered and contains (100) molecular layers of the <b>tts</b> topological type. The structure of <b>2</b> does not contain long molecular ensembles but demonstrates short Br⋯O contacts linking molecules into a centrosymmetric dimer.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"65 10","pages":"2029 - 2040"},"PeriodicalIF":1.2,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142598815","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
Synthesis and Crystal Structure of the First Aqueous Silver Borate Nitrate Ag3B4O6(OH)2(NO3) 第一种硝酸银硼酸盐水溶液 Ag3B4O6(OH)2(NO3) 的合成与晶体结构
IF 1.2 4区 化学
Journal of Structural Chemistry Pub Date : 2024-11-11 DOI: 10.1134/S0022476624100019
Y. O. Kopylova, S. N. Volkov, S. M. Aksenov, R. S. Bubnova
{"title":"Synthesis and Crystal Structure of the First Aqueous Silver Borate Nitrate Ag3B4O6(OH)2(NO3)","authors":"Y. O. Kopylova,&nbsp;S. N. Volkov,&nbsp;S. M. Aksenov,&nbsp;R. S. Bubnova","doi":"10.1134/S0022476624100019","DOIUrl":"10.1134/S0022476624100019","url":null,"abstract":"<p>The first aqueous silver borate nitrate Ag<sub>3</sub>B<sub>4</sub>O<sub>6</sub>(OH)<sub>2</sub>(NO<sub>3</sub>) has a non-centrosymmetric crystal structure (<i>P</i>4<sub>3</sub>2<sub>1</sub>2, <i>a</i> = 10.0196(3) Å, <i>c</i> = 9.2594(2) Å). The compound is prepared by soft hydrothermal synthesis inside an evacuated quartz ampoule. The structure of the resulting 1D–5B-borate compound is formed by [B<sub>4</sub>O<sub>6</sub>(OH)<sub>2</sub>]<sup>2–</sup> chains consisting of two triborate rings with a common (2Δ3□:(‹Δ2□›–‹Δ2□›–)<sup>∞</sup> tetrahedron and NO<sub>3</sub> triangles with silver atoms between the rings. The relationship between the structures of Ag<sub>3</sub>B<sub>4</sub>O<sub>6</sub>(OH)<sub>2</sub>(NO<sub>3</sub>), Tl<sub>2</sub>B<sub>4</sub>O<sub>6</sub>(OH)<sub>2</sub>·2H<sub>2</sub>O and the kernite Na<sub>2</sub>B<sub>4</sub>O<sub>6</sub>(OH)<sub>2</sub>·3H<sub>2</sub>O (also formed by [B<sub>4</sub>O<sub>6</sub> (OH)<sub>2</sub>]<sup>2–</sup> chains) is discussed.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"65 10","pages":"1887 - 1893"},"PeriodicalIF":1.2,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142598891","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
Synthesis and Study of Manganese-Substituted Barium Hexaferrite BaFe12–xMnxO19 锰替代六价铁钡的合成与研究 BaFe12-xMnxO19
IF 1.2 4区 化学
Journal of Structural Chemistry Pub Date : 2024-10-02 DOI: 10.1134/S0022476624090063
K. P. Gafarova, V. E. Zhivulin, S. A. Gudkova, G. P. Vyatkin, L. A. Pesin, D. P. Sherstyuk, D. A. Vinnik
{"title":"Synthesis and Study of Manganese-Substituted Barium Hexaferrite BaFe12–xMnxO19","authors":"K. P. Gafarova,&nbsp;V. E. Zhivulin,&nbsp;S. A. Gudkova,&nbsp;G. P. Vyatkin,&nbsp;L. A. Pesin,&nbsp;D. P. Sherstyuk,&nbsp;D. A. Vinnik","doi":"10.1134/S0022476624090063","DOIUrl":"10.1134/S0022476624090063","url":null,"abstract":"<p>The study of manganese-substituted barium hexaferrite BaFe<sub>12–<i>x</i></sub>Mn<sub><i>x</i></sub>O<sub>19</sub> with a degree of substitution <i>x</i> from 0 to 2 is presented. The samples are prepared by the solid-phase synthesis at a temperature of 1275 °C and isothermal holding for 5 h. The elemental composition of the samples is determined using energy dispersive spectroscopy, which shows good correspondence with the specified calculated compositions. Monophasicity of all synthesized samples is confirmed by powder X-ray diffraction. In addition, the effect of manganese substitution on the unit cell parameters is estimated. In the differential scanning calorimetry study of the properties, the effect of manganese substitution for iron on the Curie points of the samples obtained, which are caused by changes in the magnetic structures of the produced materials, is determined. The results indicate a significant effect of manganese substitution on the properties of barium hexaferrite and confirm the possibility to control the substitution process for the production of materials with adjustable magnetic characteristics.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"65 9","pages":"1748 - 1756"},"PeriodicalIF":1.2,"publicationDate":"2024-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142409531","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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