Journal of Structural Chemistry最新文献

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Structures and Vibrational Spectra of Potassium and Ammonium Fluoridozirconates 氟锆酸钾和氟锆酸铵的结构和振动光谱
IF 1.5 4区 化学
Journal of Structural Chemistry Pub Date : 2026-07-30 DOI: 10.1134/S0022476626070097
E. I. Voit, N. A. Didenko
{"title":"Structures and Vibrational Spectra of Potassium and Ammonium Fluoridozirconates","authors":"E. I. Voit,&nbsp;N. A. Didenko","doi":"10.1134/S0022476626070097","DOIUrl":"10.1134/S0022476626070097","url":null,"abstract":"<p>The effect is considered of the nature of monovalent potassium and ammonium cations on the structure of complex zirconium(IV) fluorides at different F/Zr ratios. It is shown that <span>(text{NH}_{4}^{+})</span> and K<sup>+</sup> fluoridozirconates with the stoichiometric F/Zr ratio of 7-5 form series of compounds with the same composition: M<sub>3</sub>ZrF<sub>7</sub>–M<sub>2</sub>ZrF<sub>6</sub>–MZrF<sub>5</sub>·H<sub>2</sub>O–MZrF<sub>5</sub> (M–K<sup>+</sup>, <span>(text{NH}_{4}^{+}))</span>. The formula analogues differ in structure from each other. Vibrational (IR, Raman) spectra of potassium and ammonium fluoridozirconates are systematized, analyzed, and compared. The characteristic spectral features describing the structural features of compounds in the mentioned series are discussed and identified. The results of the study can be useful for the synthesis and structure determination of both new fluoridometallates (zirconates, hafnates, terbates, etc.) and composite materials based on them.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 7","pages":"1526 - 1539"},"PeriodicalIF":1.5,"publicationDate":"2026-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148614999","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
Preparation, Crystallographic Characterization, Synthon Investigation and Hirshfeld Surface Analysis of 4-bromobenzamide and its Cocrystals with Phenylacetic Acid and 2,3-Dibromosuccinic Acid 4-溴苯甲酰胺及其与苯乙酸和2,3-二溴琥珀酸共晶的制备、晶体学表征、合成研究和Hirshfeld表面分析
IF 1.5 4区 化学
Journal of Structural Chemistry Pub Date : 2026-07-30 DOI: 10.1134/S0022476626070048
R. Wu, S. Jin, R. Hong, H. Hong, Y. Ni, Z. Jiao, C. Liang, Z. Li, R. Gao, D. Wang
{"title":"Preparation, Crystallographic Characterization, Synthon Investigation and Hirshfeld Surface Analysis of 4-bromobenzamide and its Cocrystals with Phenylacetic Acid and 2,3-Dibromosuccinic Acid","authors":"R. Wu,&nbsp;S. Jin,&nbsp;R. Hong,&nbsp;H. Hong,&nbsp;Y. Ni,&nbsp;Z. Jiao,&nbsp;C. Liang,&nbsp;Z. Li,&nbsp;R. Gao,&nbsp;D. Wang","doi":"10.1134/S0022476626070048","DOIUrl":"10.1134/S0022476626070048","url":null,"abstract":"<p>The crystalline solids 4-bromobenzamide (bbm) and its two new cocrystals with phenylacetic acid and 2,3-dibromosuccinic acid are featured through using the XRD analysis, IR, mp, and elemental analysis. Although the structure of the bbm is reported, we redetermine its crystal structure in order to make some comparison in the geometric parameters between bbm and its cocrystals discussed in the following text. The bbm (<b>1</b>) applies the monoclinic, space group <i>P</i>2(1)/<i>c</i>, with <i>a</i> = 4.9735(4) Å, <i>b</i> = 5.4545(5) Å, <i>c</i> = 28.178(3) Å, β = 93.6180(10)°,<i> V</i> = 762.90(12) Å<sup>3</sup>, <i>Z</i> = 4. Cocrystal (<b>2</b>) crystallizes into the triclinic, space group <span>(Pbar{1})</span>, with <i>a</i> = 5.6582(4) Å, <i>b</i> = 10.1682(8) Å, <i>c</i> = 12.9486(9) Å, α = 102.781(2)°, β = 94.8340(10)°, γ = 92.3000(10)°, <i>V</i> = 722.61(9) Å<sup>3</sup>, <i>Z</i> = 2. Cocrystal (<b>3</b>) belongs to the monoclinic, space group <i>P</i>2(1)/<i>c</i>, with <i>a</i> = 8.8220(7) Å, <i>b</i> = 9.2241(8) Å, <i>c </i>= 13.7529(11) Å, β = 92.6640(10)°, <i>V</i> = 1117.93(16) Å<sup>3</sup>, <i>Z</i> = 4. All of the three compounds <b>1-3</b> set up the multiple N–H⋯O H-bonds together with the other non-covalent linkages. Apart from the conventional H-bonds, the secondary linkages of the CH–O, CH–Br, Br–O, and Br–Br also show the essential roles in the spatial expansion. The role of these non-covalent linkages in the crystal packing is assured. Study by the Hirshfeld surface analysis (HSA) supplies the extra views into the nature of the various short contacts in the crystal structures. The synthons within these assemblies are analyzed. On account of the synergism of the conventional H-bonds and the various non-covalent contacts, they exhibited the 1D and 3D motifs. In conclusion, we have demonstrated that the high dimensional supramolecules can be manufactured by the collective non-covalent connections.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 7","pages":"1473 - 1487"},"PeriodicalIF":1.5,"publicationDate":"2026-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148615018","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, Structure, and Luminescence of a Binuclear Copper(I) Complex Based on 1,3-Diaza-5-Phosphacyclohexane 1,3-二氮杂-5-磷酸环己烷双核铜(I)配合物的合成、结构和发光
IF 1.5 4区 化学
Journal of Structural Chemistry Pub Date : 2026-07-30 DOI: 10.1134/S0022476626070061
K. D. Akhmadgaleev, A. G. Shmelev, L. V. Frantsuzova, I. A. Litvinov, I. D. Strelnik, A. A. Karasik
{"title":"Synthesis, Structure, and Luminescence of a Binuclear Copper(I) Complex Based on 1,3-Diaza-5-Phosphacyclohexane","authors":"K. D. Akhmadgaleev,&nbsp;A. G. Shmelev,&nbsp;L. V. Frantsuzova,&nbsp;I. A. Litvinov,&nbsp;I. D. Strelnik,&nbsp;A. A. Karasik","doi":"10.1134/S0022476626070061","DOIUrl":"10.1134/S0022476626070061","url":null,"abstract":"<p>We report syntheses of two new 1,3-diaza‑5‑phosphacyclohexanes bearing a pyridine-2-yl or pyridine-2-ylethyl substituent at the phosphorus atom and biphenyl groups at the nitrogen atoms. A binuclear copper(I) complex with iodide bridges is prepared on the basis of the ligand with a pyridine-2-ylethyl substituent at the phosphorus atom. Single crystal X-ray diffraction analysis reveals that the ligand in the crystalline state adopts an asymmetric heterocycle conformation with one biphenyl substituent occupying an axial position, thereby leading to pyramidalization of one of the endocyclic nitrogen atoms due to 1,3-syn-axial repulsion. Regardless of the reaction stoichiometry, the interaction of the N-biphenyl‑substituted ligand with CuI exclusively affords a centrosymmetric dimeric complex of composition Cu<sub>2</sub>I<sub>2</sub>L<sub>2</sub> with a planar four‑membered Cu<sub>2</sub>I<sub>2</sub> core, in which the ligand acts as a chelating P,N-donor. The resulting complex exhibits two-band luminescence in the solid state, with each band being selectively excitable owing to different excitation spectra. The long (microsecond) luminescence lifetimes indicate a triplet origin for both emission bands.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 7","pages":"1494 - 1505"},"PeriodicalIF":1.5,"publicationDate":"2026-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148615082","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
Structure of Diethylamine Complexes with Methanesulfonic Acid in Solutions According to IR Spectroscopy Data and Quantum Chemical Calculations 基于红外光谱数据和量子化学计算的溶液中二乙胺与甲磺酸配合物的结构
IF 1.5 4区 化学
Journal of Structural Chemistry Pub Date : 2026-07-30 DOI: 10.1134/S0022476626070127
E. G. Tarakanova, V. D. Maiorov, I. S. Kislina
{"title":"Structure of Diethylamine Complexes with Methanesulfonic Acid in Solutions According to IR Spectroscopy Data and Quantum Chemical Calculations","authors":"E. G. Tarakanova,&nbsp;V. D. Maiorov,&nbsp;I. S. Kislina","doi":"10.1134/S0022476626070127","DOIUrl":"10.1134/S0022476626070127","url":null,"abstract":"<p>Structural and energy parameters and existence regions of hydrogen-bonded complexes determining the properties of solutions in the diethylamine (DEA)–methanesulfonic acid (MSA) system are established by IR spectroscopy and quantum chemistry. Four concentration–structural zones can be distinguished in the component ratio ranging from 0:1 to 1:1. The first zone is pure MSA (which, as shown previously, contains 3MSA complexes and small amounts of 2MSA and 4MSA complexes). In the second zone (from 0:1 to 1:3), DEA·3MSA complexes are formed in addition to MSA self-associates. In the remaining zones, two types of structural solution species coexist. In the third zone (from 1:3 to 1:2), the observed complexes are DEA·3MSA and DEA·2MSA, and those in the fourth zone (from 1:2 to 1:1) are DEA·2MSA and 2DEA·2MSA. All <i>m</i>DEA·<i>n</i>MSA complexes (<i>m</i> = 1-2, <i>n</i> = 1-4) include <span>(text{C}{{text{H}}_{3}}text{SO}_{3}^{-}cdot {{({{text{C}}_{2}}{{text{H}}_{5}})}_{2}}text{NH}_{2}^{+})</span> contact ion pairs serving as structure-forming and stabilizing elements of DEA solutions in MSA. The most energetically favorable complex, 2DEA·2MSA, consists of two ion pairs interacting with each other in such a way that all four of its N–H⋯O bridges are equivalent. The DEA–MSA and TEA–MSA systems exhibit similarities in their complexation processes. The obtained results complement the general scheme of acid–base interactions in acid solutions and expand the database for predicting the catalytic activity of acid–base systems of arbitrary composition.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 7","pages":"1563 - 1572"},"PeriodicalIF":1.5,"publicationDate":"2026-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148615086","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 of 5-Bromodiffractaic Acid and its Antiviral Properties Against Respiratory Syncytial Virus Strain A2 5-溴代衍射酸的合成及其对呼吸道合胞病毒A2株的抗病毒作用
IF 1.5 4区 化学
Journal of Structural Chemistry Pub Date : 2026-07-30 DOI: 10.1134/S0022476626070152
A. A. Diveikina, A. S. Filimonov, O. A. Luzina, A. A. Shtro, A. V. Galochkina, A. M. Klabukov, D. N. Razgulyaeva, N. F. Salakhutdinov
{"title":"Synthesis of 5-Bromodiffractaic Acid and its Antiviral Properties Against Respiratory Syncytial Virus Strain A2","authors":"A. A. Diveikina,&nbsp;A. S. Filimonov,&nbsp;O. A. Luzina,&nbsp;A. A. Shtro,&nbsp;A. V. Galochkina,&nbsp;A. M. Klabukov,&nbsp;D. N. Razgulyaeva,&nbsp;N. F. Salakhutdinov","doi":"10.1134/S0022476626070152","DOIUrl":"10.1134/S0022476626070152","url":null,"abstract":"<p>Natural hydroxy acids, in particular lichen depsides, are of considerable interest to medicinal chemistry due to their broad spectrum of biological activity. Diffractaic acid is a secondary lichen metabolite belonging to the class of depsides. Its structure contains two positions available for aromatic substitution, and modification by introducing substituents at these positions has not been previously studied. Two benzene rings of diffractaic acid bear slightly different sets of substituents, so the possibility of performing regioselective introduction of new substituents is not obvious. It is shown that the <i>N</i>-bromosuccinimide based bromination of diffractaic acid is regioselective at the ring bearing a free carboxy group. The structure of 5-bromodiffractaic acid is established by two-dimensional NMR spectroscopy. Introduction of a bromine atom into the diffractaic acid structure significantly increases both the activity against respiratory syncytial virus strain A2 and the chemotherapeutic index, the latter by a factor of six.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 7","pages":"1588 - 1594"},"PeriodicalIF":1.5,"publicationDate":"2026-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148615016","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, Structure, and Luminescent Properties of the Cadmium Metal-Organic Coordination Polymer Based on 4,6-di(1,2,4-triazol-1-yl)-2,1,3-Benzoxadiazole 基于4,6-二(1,2,4-三唑-1-基)-2,1,3-苯并恶二唑的镉金属-有机配位聚合物的合成、结构及发光性能
IF 1.5 4区 化学
Journal of Structural Chemistry Pub Date : 2026-07-30 DOI: 10.1134/S0022476626070103
V. V. Pavlova, D. I. Pavlov, A. A. Gulenko, A. A. Ryadun, A. S. Potapov
{"title":"Synthesis, Structure, and Luminescent Properties of the Cadmium Metal-Organic Coordination Polymer Based on 4,6-di(1,2,4-triazol-1-yl)-2,1,3-Benzoxadiazole","authors":"V. V. Pavlova,&nbsp;D. I. Pavlov,&nbsp;A. A. Gulenko,&nbsp;A. A. Ryadun,&nbsp;A. S. Potapov","doi":"10.1134/S0022476626070103","DOIUrl":"10.1134/S0022476626070103","url":null,"abstract":"<p>4,6-Di(1,2,4-triazol-1-yl)-2,1,3-benzoxadiazole (<b>4,6-Tr</b><sub><b>2</b></sub><b>bod</b>) is obtained for the first time with a 34% yield by the heteroarylation reaction with 4,6-dibromo-2,1,3-benzoxadiazole and 1<i>H</i>-1,2,4-triazole in the superbasic K<sub>3</sub>PO<sub>4</sub>/DMSO medium. By the interaction of the obtained <b>4,6-Tr</b><sub><b>2</b></sub><b>bod</b> ligand with thiophendicarboxylic acid (H<sub>2</sub>TDC) and cadmium nitrate, 2D metal-organic coordination polymer (CP) {[Cd(TDC)(4,6-Tr<sub>2</sub>bod)(H<sub>2</sub>O)]·H<sub>2</sub>O·DMF}<sub><i>n</i></sub> is formed with a 39% yield. The obtained compounds are characterized by IR and NMR spectroscopy and the elemental analysis. By the single crystal X-ray diffraction analysis of CP formed it is found that the polymer crystallizes in the triclinic crystal system with space group <span>(Pbar{1})</span> and has a 2D layered structure where chains of cadmium cations and thiophene-dicarboxylate anions are bridged by <b>4,6-Tr</b><sub><b>2</b></sub><b>bod</b> ligands. From the thermogravimetric analysis data it follows that this CP is thermally stable up to 335 °C. The study of the luminescent properties reveals that upon 320 nm excitation, the polymer demonstrates intense photoluminescence with the maximum at 502 nm, a quantum yield of 16%, and the excited state lifetime of 8.9 ns.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 7","pages":"1540 - 1549"},"PeriodicalIF":1.5,"publicationDate":"2026-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148615030","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
Complexation of Copper(II) and Cobalt(III) with (5-ethoxy-1-methylbenzimidazol-2-yl)-(4-methoxyphenyl)Methanol: Synthesis, Structure, and Biological Properties 铜(II)和钴(III)与(5-乙氧基-1-甲基苯并咪唑-2-基)-(4-甲氧基苯基)甲醇的络合:合成、结构和生物学性质
IF 1.5 4区 化学
Journal of Structural Chemistry Pub Date : 2026-07-30 DOI: 10.1134/S0022476626070164
A. A. Shiryaeva, V. G. Vlasenko, A. S. Burlov, Y. V. Koshchienko, M. A. Kiskin, A. A. Zubenko, V. N. Khrustalev, Y. V. Zubavichus
{"title":"Complexation of Copper(II) and Cobalt(III) with (5-ethoxy-1-methylbenzimidazol-2-yl)-(4-methoxyphenyl)Methanol: Synthesis, Structure, and Biological Properties","authors":"A. A. Shiryaeva,&nbsp;V. G. Vlasenko,&nbsp;A. S. Burlov,&nbsp;Y. V. Koshchienko,&nbsp;M. A. Kiskin,&nbsp;A. A. Zubenko,&nbsp;V. N. Khrustalev,&nbsp;Y. V. Zubavichus","doi":"10.1134/S0022476626070164","DOIUrl":"10.1134/S0022476626070164","url":null,"abstract":"<p>A new heterocyclic compound belonging to the class of secondary alcohols, (5-ethoxy-1-methylbenzimidazol-2-yl)(4-methoxyphenyl)methanol (<b>1</b>), and its copper(II) (<b>2a</b>,<b> 2b</b>) and cobalt(III) (<b>3</b>) complexes are synthesized. The structures of these compounds are established by elemental analysis, IR and NMR spectroscopy, and single crystal X-ray diffraction. Depending on the crystallization conditions, two crystal modifications are formed from copper(II) acetate and ligand <b>1</b>: <b>2a</b> (tetranuclear cubane-type Cu<sub>4</sub>O<sub>4</sub> cluster, space group <i>P</i>2<sub>1</sub>2<sub>1</sub>2) and <b>2b</b> (chain structure with a Cu<sub>2</sub>O<sub>2</sub> core and acetate bridges, space group <i>C</i>2/<i>c</i>). In both cases, the ligand is coordinated in a bidentate mode through the nitrogen atom of the benzimidazole ring and the oxygen atom of the deprotonated alcohol group. The acetate groups act as intra-core bridges in <b>2a</b> and perform a dual function - bridging and terminal - in <b>2b</b>. Complex <b>3</b> is mononuclear octahedral Co(III) compound (space group <span>(Rbar{3})</span>) with disordered hydroxyl protons. Complex <b>2b</b> exhibits strong anticoccidial activity exceeding that of the parent alcohol and the reference drug toltrazuril. It is shown that ligand <b>1</b> has high structural flexibility for the targeted tuning of the coordination architecture of its complexes.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 7","pages":"1595 - 1610"},"PeriodicalIF":1.5,"publicationDate":"2026-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148615014","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
Analysis of Atomic Contributions to the Energy in Water Clusters: from a Dimer to a Decamer 水团簇中原子对能量的贡献分析:从二聚体到十聚体
IF 1.5 4区 化学
Journal of Structural Chemistry Pub Date : 2026-07-30 DOI: 10.1134/S002247662607019X
A. A. Denisova, S. I. Kargov, P. D. Perfiliev, K. A. Lyssenko
{"title":"Analysis of Atomic Contributions to the Energy in Water Clusters: from a Dimer to a Decamer","authors":"A. A. Denisova,&nbsp;S. I. Kargov,&nbsp;P. D. Perfiliev,&nbsp;K. A. Lyssenko","doi":"10.1134/S002247662607019X","DOIUrl":"10.1134/S002247662607019X","url":null,"abstract":"<p>Sixteen water clusters with the number of molecules from 1 to 10 are calculated by quantum chemical methods (PBE1PBE0/def2-TZVPP). Changes in atomic energies (by IQA) due to the formation of hydrogen bonds (H-bonds) are analyzed in the dimer, trimer, tetramer, pentamer, hexamer (planar and <i>twist</i>-conformations), heptamer, octamer, and decamer. Energy gains are shown to differ substantially for the donor and acceptor molecules, with destabilization of the “free” hydrogen atom decreasing with increasing cluster, while for the hydrogen atom involved in the H-bond it can be replaced by stabilization. Correlation (<i>R</i><sup>2</sup> = 0.9938) is found between the exchange-correlation energy (IQA) and the H-bond energy, which is estimated by the potential energy density at the (3, –1) bond critical point according to the Espinosa approach.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 7","pages":"1634 - 1643"},"PeriodicalIF":1.5,"publicationDate":"2026-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148615015","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
Silver(I) Complexes with Nopinane-Annelated 4-Aza- and 4,5-Diazafluorene Derivatives 与诺蒎烷相连的4- aza -和4,5-重氮芴衍生物的银(I)配合物
IF 1.5 4区 化学
Journal of Structural Chemistry Pub Date : 2026-07-30 DOI: 10.1134/S0022476626070206
T. E. Kokina, E. S. Vasilyev, L. A. Glinskaya, Yu. A. Golubeva, L. S. Klyushova, A. M. Agafontsev, T. S. Sukhikh, A. V. Tkachev
{"title":"Silver(I) Complexes with Nopinane-Annelated 4-Aza- and 4,5-Diazafluorene Derivatives","authors":"T. E. Kokina,&nbsp;E. S. Vasilyev,&nbsp;L. A. Glinskaya,&nbsp;Yu. A. Golubeva,&nbsp;L. S. Klyushova,&nbsp;A. M. Agafontsev,&nbsp;T. S. Sukhikh,&nbsp;A. V. Tkachev","doi":"10.1134/S0022476626070206","DOIUrl":"10.1134/S0022476626070206","url":null,"abstract":"<p>Complexes [AgL(NO<sub>3</sub>)] (<b>I</b>), [AgL<sup>1</sup>(NO<sub>3</sub>)] (<b>II</b>) and [Ag(μ-NO<sub>3</sub>)L<sup>2</sup>]<sub><i>n</i></sub> (<b>III)</b>, (L, L<sup>1</sup>, L<sup>2</sup> are nopinane-annelated 4-aza- and 4,5-diazafluorene derivatives) are prepared. The molecular structures of <b>I</b>, <b>II</b>, and that of the [Ag(μ-NO<sub>3</sub>)L<sup>2</sup>]<sub><i>n</i></sub>·0.5Et<sub>2</sub>O (<b>IV</b>) solvate are established by single crystal X-ray diffraction (CCDC No. 2546650, 2546708, 2546710). The crystal structures of <b>I</b> and <b>II</b> are built of supramolecular dimeric ensembles formed by molecules of two-coordinate and three-coordinate silver(I) complexes, respectively. The dimeric ensembles in <b>II</b> are additionally stabilized by argentophilic interactions (Ag⋯Ag 2.92 Å). Compound <b>IV</b> contains a polynuclear complex <b>III</b> and diethyl ether molecules. Ligand L is monodentate, whereas L<sup>1</sup> and L<sup>2</sup> are bidentate cyclic ligands. The compounds are characterized by elemental analysis, X-ray powder diffraction, and NMR spectroscopy. The cytotoxic properties of the free ligands L<sup>1</sup>, L<sup>2</sup>, complexes <b>II</b> and <b>III</b>, and the previously obtained nopinane-annelated 4,5-diazafluorenone L<sup>3</sup> and <span>([text{Ag}{{(text{L}_{text{N}text{,N}}^{ 3})}_{2}}]text{N}{{text{O}}_{3}}cdot text{EtOH}cdot {{text{H}}_{2}}text{O})</span> (<b>V</b>) are investigated against the breast adenocarcinoma cell line MCF-7 and the non‑tumor human lung fibroblast cell line MRC-5.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 7","pages":"1644 - 1659"},"PeriodicalIF":1.5,"publicationDate":"2026-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148615087","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
A Topologically New Cd(II) Coordination Polymer with the Reversible Dehydrated-Rehydrated Ability and Concomitant Luminescent Transfer 一种具有可逆脱水-再水合能力和伴随发光转移的拓扑新型Cd(II)配位聚合物
IF 1.5 4区 化学
Journal of Structural Chemistry Pub Date : 2026-07-30 DOI: 10.1134/S0022476626070036
Y. -P. Li, G. -I. Li, L. -Y. Xin, X. -L. Li, G. -Z. Liu
{"title":"A Topologically New Cd(II) Coordination Polymer with the Reversible Dehydrated-Rehydrated Ability and Concomitant Luminescent Transfer","authors":"Y. -P. Li,&nbsp;G. -I. Li,&nbsp;L. -Y. Xin,&nbsp;X. -L. Li,&nbsp;G. -Z. Liu","doi":"10.1134/S0022476626070036","DOIUrl":"10.1134/S0022476626070036","url":null,"abstract":"<p>The Cd(II)–L carboxylate motifs mediated by the bpp ligand afforded a topologically new coordination polymer by hydrothermal reaction, namely, [Cd<sub>2</sub>(L)(bpp)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]·2H<sub>2</sub>O ([1·(H<sub>2</sub>O)<sub>2</sub>]·2H<sub>2</sub>O) (H<sub>4</sub>L = 5-(2,3-Dicarboxy phenoxy)isophthalic acid and bpp = 1,3-bis(4-pyridyl)propane). It is further characterized by elemental analysis, IR, thermogravimetric analysis (TGA) and fluorescence analysis. The single crystal X-ray diffraction revealed that the structure features the Cd(II)-carboxylate layer motifs cross-linked by the bpp coligands to construct a 3D metal-organic framework with a (4,4,4)-connected {4.5.6<sup>2</sup>.7.8} {4.5<sup>2</sup>.6<sup>2</sup>.8}{5<sup>2</sup>.6<sup>2</sup>.7.8} new framework topology. The TGA shows that the compound exhitits good thermal properties with reversible dehydrated-rehydrated ability without destroying the framework integrity. In addition, the dehydration/rehydration process is accompanied with a unusual phenomenon of fluorescence transfer, which makes it great potential in minimum moisture detection.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 7","pages":"1465 - 1472"},"PeriodicalIF":1.5,"publicationDate":"2026-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148615090","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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