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Electronic Structure of the Graphene–Diamond Composition: Semi-Analytical Estimations by the Stationary Ĝ-Operator Method and Numerical DFT Simulations 石墨烯-金刚石组成的电子结构：用平稳Ĝ-Operator方法和数值DFT模拟的半解析估计
IF 1.4 4区 化学
Journal of Structural Chemistry Pub Date : 2026-06-09 DOI: 10.1134/S0022476626050185
N. I. Alekseev, I. V. Oreshko, N. N. Zhogal, V. I. Zubkov, A. V. Solomnikova
{"title":"Electronic Structure of the Graphene–Diamond Composition: Semi-Analytical Estimations by the Stationary Ĝ-Operator Method and Numerical DFT Simulations","authors":"N. I. Alekseev,&nbsp;I. V. Oreshko,&nbsp;N. N. Zhogal,&nbsp;V. I. Zubkov,&nbsp;A. V. Solomnikova","doi":"10.1134/S0022476626050185","DOIUrl":"10.1134/S0022476626050185","url":null,"abstract":"<p>Various geometries of diamond-graphene compositions are simulated in terms of their band structure. The geometries are studied using Quantum Espresso and HyperChem quantum chemical packages and by the semi-quantitative analysis based on a simple stationary Green′s operator technique in the site representation. Approximate analytical relations characterizing band structures of several considered geometries are obtained. The possibility of generalizing these relations to more complex geometries is estimated, and the correspondence between these estimations and calculations is verified using computational packages. Conditions ensuring the origination and stable growth of the required composition as graphene grows from the gas phase on a diamond surface are partially considered.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 5","pages":"1157 - 1173"},"PeriodicalIF":1.4,"publicationDate":"2026-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148196246","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
Coherent Sr3Ti2O7-Type Inclusions in the Sr2TiO4 Matrix Structure and Their Influence on XRD Patterns Sr2TiO4基体结构中相干sr3ti2o7型夹杂物及其对XRD谱图的影响
IF 1.4 4区 化学
Journal of Structural Chemistry Pub Date : 2026-06-09 DOI: 10.1134/S0022476626050070
A. S. Gorkusha, S. V. Tsybulya, E. Yu. Gerasimov, Yu. A. Ivanova, L. A. Isupova
{"title":"Coherent Sr3Ti2O7-Type Inclusions in the Sr2TiO4 Matrix Structure and Their Influence on XRD Patterns","authors":"A. S. Gorkusha,&nbsp;S. V. Tsybulya,&nbsp;E. Yu. Gerasimov,&nbsp;Yu. A. Ivanova,&nbsp;L. A. Isupova","doi":"10.1134/S0022476626050070","DOIUrl":"10.1134/S0022476626050070","url":null,"abstract":"<p>The effect of strontium deficiency on the microstructure of the Sr<sub>2</sub>TiO<sub>4</sub> layered perovskite-like oxide with the crystal structure of the first term of the Ruddlesden–Popper series <i>A</i><sub><i>n</i>+1</sub><i>B</i><sub><i>n</i></sub>O<sub>3<i>n</i>+1</sub> is studied by powder XRD and high-resolution transmission electron microscopy. It is established that a strontium deficiency of ~5% (Sr<sub>1.9</sub>TiO<sub>3.9</sub>) can lead to the formation of coherent nano-sized inclusions (lamellas) with the structure of the second term Sr<sub>3</sub>Ti<sub>2</sub>O<sub>7</sub> of the series in the Sr<sub>2</sub>TiO<sub>4</sub> matrix. The simulated XRD patterns show that the presence of such defects explains diffuse scattering effects and the redistribution of intensities of main reflections on the XRD patterns.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 5","pages":"1026 - 1034"},"PeriodicalIF":1.4,"publicationDate":"2026-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148196304","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 Structural Features of the Nickel(II) Complex with Pincer 1,3-bis((diphenyl)phosphinoxy)Phenyl and Terminal Trifluoroacetate Ligands 螯合1,3-二（（二苯基）膦氧基）苯基与末端三氟乙酸配体的镍（II）配合物的合成及结构特征
IF 1.4 4区 化学
Journal of Structural Chemistry Pub Date : 2026-06-09 DOI: 10.1134/S0022476626050136
O. S. Chudin, D. S. Volkova, A. Yu. Fedorov, T. Yu. Ivanenko, A. L. Naguslaeva, V. V. Verpekin
{"title":"Synthesis and Structural Features of the Nickel(II) Complex with Pincer 1,3-bis((diphenyl)phosphinoxy)Phenyl and Terminal Trifluoroacetate Ligands","authors":"O. S. Chudin,&nbsp;D. S. Volkova,&nbsp;A. Yu. Fedorov,&nbsp;T. Yu. Ivanenko,&nbsp;A. L. Naguslaeva,&nbsp;V. V. Verpekin","doi":"10.1134/S0022476626050136","DOIUrl":"10.1134/S0022476626050136","url":null,"abstract":"<p>The synthesis procedure is developed for the pincer 1,3-bis((diphenyl)phosphinoxy)phenyl complexa of nickel [{C<sub>6</sub>H<sub>3</sub>-1,3-(OPPh<sub>2</sub>)<sub>2</sub>}NiI] (<b>1</b>) by the direct interaction of 1,3-bis((diphenyl)phosphinoxy)benzene with [(CH<sub>3</sub>CN)<sub>3</sub>NiI<sub>2</sub>]. By the reaction of complex <b>1</b> with silver trifluoroacetate, new complex [{C<sub>6</sub>H<sub>3</sub>-1,3-(OPPh<sub>2</sub>)<sub>2</sub>}NiOC(O)CF<sub>3</sub>] (<b>2</b>) is obtained with a quantitative yield. The compounds are characterized by <sup>1</sup>H, <sup>13</sup>C{<sup>1</sup>H}, <sup>31</sup>P{<sup>1</sup>H}, and <sup>19</sup>F NMR spectroscopy. The structure of complex <b>2</b> is determined by single crystal X-ray diffraction.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 5","pages":"1099 - 1108"},"PeriodicalIF":1.4,"publicationDate":"2026-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148196356","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
Tandem Rearrangement of Betulin under the Action of 3,5-Dinitrobenzoic Acid and the Crystal Structure of 19β,28-Epoxy-A-Neo-18α-Olean-3(5)-Ene 3,5-二硝基苯甲酸作用下桦木素的串联重排及19β，28-环氧- a - neo -18α-齐墩-3(5)-烯的晶体结构
IF 1.4 4区 化学
Journal of Structural Chemistry Pub Date : 2026-06-09 DOI: 10.1134/S0022476626050069
A. V. Zaytsev, Yu. D. Razgulyaeva, T. S. Sukhikh, A. A. Bakibaev
{"title":"Tandem Rearrangement of Betulin under the Action of 3,5-Dinitrobenzoic Acid and the Crystal Structure of 19β,28-Epoxy-A-Neo-18α-Olean-3(5)-Ene","authors":"A. V. Zaytsev,&nbsp;Yu. D. Razgulyaeva,&nbsp;T. S. Sukhikh,&nbsp;A. A. Bakibaev","doi":"10.1134/S0022476626050069","DOIUrl":"10.1134/S0022476626050069","url":null,"abstract":"<p>The regioselective synthesis of the 19β,28-epoxy-A-neo-18α-olean-3(5)-ene isomer - a product of the tandem rearrangement of betulin under the action of 3,5-dinitrobenzoic acid - is reported. The single crystal X-ray diffraction analysis is used to determine the crystal structure of 19β,28-epoxy-A-neo-18α-olean-3(5)-ene. It is found that the isomer crystallizes in the orthorhombic crystal system, space group <i>P</i>2<sub>1</sub>2<sub>1</sub>2<sub>1</sub>. The unit cell parameters are as follows: <i>a</i> = 6.5380(4) Å, <i>b</i> = 15.4381(10) Å, <i>c</i> = 24.7932(15) Å, <i>V</i> = 2502.5(3) Å<sup>3</sup>.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 5","pages":"1021 - 1025"},"PeriodicalIF":1.4,"publicationDate":"2026-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148196353","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
Role of Secondary Interactions Involving Iodine Atoms in the Crystals of 1,2-Diamino-4,5-Diiodobenzene Polymorphs 涉及碘原子的二级相互作用在1,2-二氨基-4,5-二碘苯多晶物晶体中的作用
IF 1.4 4区 化学
Journal of Structural Chemistry Pub Date : 2026-06-09 DOI: 10.1134/S0022476626050112
A. I. Samigullina, V. A. Migulin
{"title":"Role of Secondary Interactions Involving Iodine Atoms in the Crystals of 1,2-Diamino-4,5-Diiodobenzene Polymorphs","authors":"A. I. Samigullina,&nbsp;V. A. Migulin","doi":"10.1134/S0022476626050112","DOIUrl":"10.1134/S0022476626050112","url":null,"abstract":"<p>Two crystal modifications of 1,2-diamino-4,5-diiodobenzene (<i>P</i>2<sub>1</sub>2<sub>1</sub>2<sub>1</sub> space group, <i>Z</i>′ = 1), exemplifying packing polymorphism, are prepared and characterized by X-ray diffraction. The polymorphs contain an identical double chain (1D-motif) formed via N–H⋯N H-bonds and I⋯<i>Cg</i> contacts. The main difference arises from the relative arrangement of the 1D motifs (“distinctly herringbone” and “smoothed herringbone” types) and is governed by secondary interactions involving iodine atoms (N–H⋯I, N⋯I, I⋯I). The estimated crystal field energies and DSC data show that the polymorph with the “distinctly herringbone” arrangement of 1D motifs (<b>1a</b>) is thermodynamically stable and can be reproduced from a wider range of solvents. The polymorph with the “smoothed herringbone” arrangement (<b>1b</b>) exhibits higher calculated crystal density and molecular packing coefficient values than polymorph <b>1a</b> and can be prepared only from acetonitrile at 7 °C.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 5","pages":"1075 - 1086"},"PeriodicalIF":1.4,"publicationDate":"2026-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148196319","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
Novel Chiral-at-Metal Pseudotetrahedral Ru(II) Complex of a Chiral Selenated Schiff Base: Synthesis, Characterization, Absolute Crystal Structure and Hirshfeld Surface Analysis 新型手性硒化席夫碱络合物的合成、表征、绝对晶体结构和赫希菲尔德表面分析
IF 1.4 4区 化学
Journal of Structural Chemistry Pub Date : 2026-06-09 DOI: 10.1134/S0022476626050161
H. R. Rajegowda, C. E. Satheesh, B. S. Chethan, R. J. Butcher, P. Raghavendra Kumar
{"title":"Novel Chiral-at-Metal Pseudotetrahedral Ru(II) Complex of a Chiral Selenated Schiff Base: Synthesis, Characterization, Absolute Crystal Structure and Hirshfeld Surface Analysis","authors":"H. R. Rajegowda,&nbsp;C. E. Satheesh,&nbsp;B. S. Chethan,&nbsp;R. J. Butcher,&nbsp;P. Raghavendra Kumar","doi":"10.1134/S0022476626050161","DOIUrl":"10.1134/S0022476626050161","url":null,"abstract":"<p>A novel ruthenium(II) complex, [Ru(<i>p</i>-cymene)(<b>(</b><b><i>R</i></b><b>)-L</b>)](PF<sub>6</sub>) (<b>(</b><b><i>R</i></b><b>)-1</b>) of a chiral selenated Schiff base ligand, (2<i>R</i>)-BnSeCH<sub>2</sub>CH(CH<sub>3</sub>)N=CH-C<sub>10</sub>H<sub>8</sub>-2-OH (<b>(</b><b><i>R</i></b><b>)-LH</b>) is synthesized and characterized by elemental analysis, <sup>1</sup>H/<sup>13</sup>C{<sup>1</sup>H} NMR and FTIR spectroscopy. The characterisation data of the complex, <b>(</b><b><i>R</i></b><b>)-1</b> reveal that, the conjugate base (<b>(</b><b><i>R</i></b><b>)-L</b>) of the chiral ligand is found to be coordinated in a tridentate (Se, N, O<sup>–</sup>) mode to the central Ru(II) ion. The resulting product contained a mixture of the two diastereomers of the complex containing two chiral centers, one at carbon and another chiral-at-metal. One of the diastereomers of the complex is obtained on recrystallization of the product into an orange-red crystalline compound. The absolute molecular crystal structure of this diastereomer is determined by single crystal X-ray diffraction. The crystal data revealed that the complex crystallizes in the orthorhombic crystal system in the space group <i>P</i>2<sub>1</sub>2<sub>1</sub>2<sub>1</sub>. The bond parameters demonstrated that the complex has half-sandwich pseudotetrahedral geometry around the Ru(II) ion. The flack parameter (<i>x</i> = 0.06(3)) further confirms the presence of a single diastereomer in the crystalline sample of the complex, <b>(</b><b><i>R</i></b><b>)-1</b>. In the molecular crystals of the complex, there exists Se⋯F (3.206 Å), CH⋯O (2.00 Å) and CH⋯F (2.46 Å to 2.62 Å) type of intermolecular secondary bonding interactions resulting in supramolecular structure. The intermolecular interactions exhibited by the crystalline environment of the complex are evaluated by the Hirshfeld surface (HS) analysis.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 5","pages":"1135 - 1147"},"PeriodicalIF":1.4,"publicationDate":"2026-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148196359","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, Characterization and Crystal Structures of N’-(2-hydroxy-4-methoxybenzylidene)-3-Trifluoromethylbenzohydrazide and its Nickel(II) and Iron(III) Complexes with Antibacterial Activity N ' -（2-羟基-4-甲氧基苄基）-3-三氟甲基苯并肼及其具有抗菌活性的镍（II）和铁（III）配合物的合成、表征和晶体结构
IF 1.4 4区 化学
Journal of Structural Chemistry Pub Date : 2026-05-08 DOI: 10.1134/S0022476626040141
F. -Y. Wei, W. Liu
{"title":"Synthesis, Characterization and Crystal Structures of N’-(2-hydroxy-4-methoxybenzylidene)-3-Trifluoromethylbenzohydrazide and its Nickel(II) and Iron(III) Complexes with Antibacterial Activity","authors":"F. -Y. Wei,&nbsp;W. Liu","doi":"10.1134/S0022476626040141","DOIUrl":"10.1134/S0022476626040141","url":null,"abstract":"<p>A new aroylhydrazone compound <i>N’</i>-(2-hydroxy-4-methoxybenzylidene)-3-trifluoromethylbenzohydrazide (H<sub>2</sub>L) is synthesized and characterized by elemental analysis, IR, <sup>1</sup>H and <sup>13</sup>C NMR spectra. Reaction of H<sub>2</sub>L as ligand with nickel(II) acetate and iron(III) chloride, respectively in methanol affords complexes [Ni<sub>2</sub>L<sub>2</sub>(CH<sub>3</sub>OH)<sub>4</sub>] <b>1</b> and [FeCl<sub>2</sub>(HL)(CH<sub>3</sub>OH)] <b>2</b>. Both complexes are characterized by elemental analysis and IR spectra. Structures of H<sub>2</sub>L∙CH<sub>3</sub>OH and the complexes are further confirmed by single crystal X-ray determination. The Ni<sup>II</sup> and Fe<sup>III</sup> atoms in both complexes are in octahedral coordination. The dianionic enolate form of the aroylhydrazone ligand in the nickel(II) complex coordinates to Ni<sup>II</sup> atoms through phenolate oxygen, imino nitrogen and enolate oxygen. The monoanionic keto form of the aroylhydrazone ligand in the iron(III) complex coordinates to Fe<sup>III</sup> atom through phenolate oxygen, imino nitrogen and carbonyl oxygen. Crystals of the compounds are stabilized by hydrogen bonds. Biological assay indicates that the compounds have effective antibacterial activity.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 4","pages":"870 - 881"},"PeriodicalIF":1.4,"publicationDate":"2026-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147829884","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, Characterization, and Hirshfeld Surface Analysis of Two Schiff Bases: (E)-3-(((4-iodophenyl)imino)methyl)Benzene-1,2-Diol and (E)-3-(((3-bromo-4-methylphenyl)imino)methyl)-Benzene-1,2-Diol 两种希夫碱（E)-3-（（4-碘苯基）亚氨基）甲基）苯-1,2-二醇和（E)-3-（（3-溴-4-甲基苯基）亚氨基）甲基）苯-1,2-二醇的合成、表征和Hirshfeld表面分析
IF 1.4 4区 化学
Journal of Structural Chemistry Pub Date : 2026-05-08 DOI: 10.1134/S0022476626040116
O. Şimşek, Ş. Atalay, M. Taşdoğan, E. Ağar, H. Bülbül, S. Kansız
{"title":"Synthesis, Characterization, and Hirshfeld Surface Analysis of Two Schiff Bases: (E)-3-(((4-iodophenyl)imino)methyl)Benzene-1,2-Diol and (E)-3-(((3-bromo-4-methylphenyl)imino)methyl)-Benzene-1,2-Diol","authors":"O. Şimşek,&nbsp;Ş. Atalay,&nbsp;M. Taşdoğan,&nbsp;E. Ağar,&nbsp;H. Bülbül,&nbsp;S. Kansız","doi":"10.1134/S0022476626040116","DOIUrl":"10.1134/S0022476626040116","url":null,"abstract":"<p>The title compounds, (<i>E</i>)-3-(((4-iodophenyl)imino)methyl)benzene-1,2-diol compound <b>1</b> and (<i>E</i>)-3-(((3-bromo-4-methylphenyl)imino)methyl)benzene-1,2-diol <b>2</b> are synthesized and comprehensively characterized through spectroscopic and crystallographic techniques, including single crystal X-ray diffraction, IR, UV-Vis, <sup>1</sup>H NMR, and <sup>13</sup>C NMR analyses. Both compounds adopt an <i>E</i> configuration with respect to the C=N double bond and crystallize in the triclinic crystal system, space group <span>(Pbar{1})</span>. Their crystal packings are primarily stabilized by O−H⋯O hydrogen bonds, complemented by C–H⋯π interactions, which extend the packing into a three-dimensional supramolecular framework. Hirshfeld surface analysis is employed to identify regions of potential hydrogen-bond formation and to quantify the relative contribution of different intermolecular contacts. The results reveal that C⋯H interactions dominate the surface contributions, underscoring their importance in the overall packing stability and molecular arrangement.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 4","pages":"827 - 840"},"PeriodicalIF":1.4,"publicationDate":"2026-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147830031","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
Electronic Structure and Elastic Properties of Polymorphic Phases of Lithium Oxothallate (LiTlO2) 氧化锂（LiTlO2）多晶相的电子结构和弹性性能
IF 1.4 4区 化学
Journal of Structural Chemistry Pub Date : 2026-05-08 DOI: 10.1134/S0022476626040037
E. B. Duginova, Y. M. Basalaev, N. G. Kravchenko
{"title":"Electronic Structure and Elastic Properties of Polymorphic Phases of Lithium Oxothallate (LiTlO2)","authors":"E. B. Duginova,&nbsp;Y. M. Basalaev,&nbsp;N. G. Kravchenko","doi":"10.1134/S0022476626040037","DOIUrl":"10.1134/S0022476626040037","url":null,"abstract":"<p>Electronic structure of lithium oxothallate (LiTlO<sub>2</sub>) in two synthesized <span>((D_{2h}^{12}, D_{4h}^{19}))</span> and two hypothetical <span>((D_{2d}^{12}, C_{2nu }^{10}))</span> phases is studied using the density functional theory method. Band structures, total and partial densities of states, and deformation electron density maps are calculated for all modifications. It is established that all lithium oxothallate phases are hard and stable. All atomic coordinates and positions of Li atoms in the crystal are determined using geometry optimization. The band gap value (<i>E</i><sub>g</sub> &lt; 1 eV) indicates that all lithium oxothallates are narrow-gap semiconductors.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 4","pages":"740 - 754"},"PeriodicalIF":1.4,"publicationDate":"2026-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147830032","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
Binuclear Cadmium(II) Complexes Based on 1,2-bis-{(2,4,6-trimethylphenyl)}Iminoacenaphthene: Synthesis, Structure, and Electrochemical Properties 基于1,2-双-{（2,4,6-三甲基苯基）}亚氨基苊的双核镉配合物：合成、结构和电化学性能
IF 1.4 4区 化学
Journal of Structural Chemistry Pub Date : 2026-05-08 DOI: 10.1134/S0022476626040074
E. V. Chekhov, I. V. Bakaev, V. I. Komlyagina, A. A. Ulantikov, N. F. Romashev, A. L. Gushchin
{"title":"Binuclear Cadmium(II) Complexes Based on 1,2-bis-{(2,4,6-trimethylphenyl)}Iminoacenaphthene: Synthesis, Structure, and Electrochemical Properties","authors":"E. V. Chekhov,&nbsp;I. V. Bakaev,&nbsp;V. I. Komlyagina,&nbsp;A. A. Ulantikov,&nbsp;N. F. Romashev,&nbsp;A. L. Gushchin","doi":"10.1134/S0022476626040074","DOIUrl":"10.1134/S0022476626040074","url":null,"abstract":"<p>Dimeric cadmium complexes based on 1,2-bis-{(2,4,6-trimethylphenyl)}iminoacenaphthene (tmp-bian) are obtained. Their compositions are [{Cd(tmp-bian)Br}<sub>2</sub>(μ-Br)<sub>2</sub>] (<b>1</b>) and [{Cd(tmp-bian)I}<sub>2</sub>(μ-I)<sub>2</sub>] (<b>2</b>). The compounds synthesized are characterized by the elemental analysis, <sup>1</sup>H NMR and IR spectrometry. Molecular structures of <b>1</b> and <b>2</b> are determined by single crystal X-ray diffraction. The electrochemical properties of the compounds are studied by cyclic voltammetry.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 4","pages":"787 - 795"},"PeriodicalIF":1.4,"publicationDate":"2026-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147830175","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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