A. L. Bogoslovtseva, V. R. Shayapov, S. Y. Chepkasov, M. I. Mironova, A. V. Kapishnikov, D. V. Marin, P. V. Geidt
{"title":"Impact of Growth Temperature During Pulsed Magnetron Sputtering on the Structure and Defects of Aluminum Nitride Films","authors":"A. L. Bogoslovtseva, V. R. Shayapov, S. Y. Chepkasov, M. I. Mironova, A. V. Kapishnikov, D. V. Marin, P. V. Geidt","doi":"10.1134/S0022476626080056","DOIUrl":"10.1134/S0022476626080056","url":null,"abstract":"<p>Structural features of aluminum nitride thin films, which are important for applications as a piezoelectric material, are studied. The films are grown by pulsed magnetron sputtering at deposition temperatures from 60 °C to 300 °C and a magnetron power of 300 W. The powder XRD analysis indicates textured growth of films along the <i>c</i> axis and a microstrain decrease with increasing deposition temperatures. The growth rate also decreases and the refractive index increases with increasing deposition temperature. The obtained patterns are explained by the ordering of the microstructure of the films with increasing deposition temperature due to increased mobility of atoms adsorbed on the substrate. It is shown by transmission electron microscopy and electron diffraction that the sample prepared at 200 °C is characterized by a lower disorientation of crystallites relative to the <i>c</i> axis than the samples deposited at 100 °C and 300 °C. For the sample prepared at 200 °C, the highest piezoresponse is qualitatively detected by piezoresponse force microscopy. The films exhibit two photoluminescence bands, the position and intensity of which do not depend on the growth temperature. The nature of defects corresponding to these bands is discussed.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 8","pages":"1704 - 1714"},"PeriodicalIF":1.5,"publicationDate":"2026-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148903442","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}
Y. N. Albrekht, D. V. Alimov, K. P. Larionov, K. A. Aidakova, A. S. Poryvaev, M. V. Fedin
{"title":"In Situ Investigation of Water Diffusion into UiO-66 Using EPR of Encapsulated Spin Probe","authors":"Y. N. Albrekht, D. V. Alimov, K. P. Larionov, K. A. Aidakova, A. S. Poryvaev, M. V. Fedin","doi":"10.1134/S0022476626080032","DOIUrl":"10.1134/S0022476626080032","url":null,"abstract":"<p>The kinetics of water diffusion in metal-organic frameworks is critical for applications such as atmospheric water harvesting, yet its real‑time molecular‑level monitoring remains challenging. Herein, we propose an in situ electron paramagnetic resonance approach based on an encapsulated spin probe to investigate water diffusion into MOF UiO‑66. The EPR spectral lineshape is highly sensitive to the local mobility of the radical. As water molecules get adsorbed within the pores over the course of the measurement, the spectral lines gradually narrow. EPR measurements reveal that water uptake in TEMPO@UiO-66 is a slow process, taking place over more than 50 h. Molecular dynamics simulations corroborate these experimental findings, showing changes in radical motion with distinct trends during water adsorption. This approach enables real‑time monitoring of water diffusion, offering a versatile tool for studying host–guest dynamics in porous materials and guiding the development of advanced sorbents.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 8","pages":"1682 - 1693"},"PeriodicalIF":1.5,"publicationDate":"2026-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148903348","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}
A. S. Pronin, T. S. Sukhikh, V. V. Yanshole, Y. M. Gayfulin, Y. V. Mironov
{"title":"Heterometallic Cyanide Cluster Complexes with {MxRe4–xS4} Cores (M = Mo, W; x = 2, 3)","authors":"A. S. Pronin, T. S. Sukhikh, V. V. Yanshole, Y. M. Gayfulin, Y. V. Mironov","doi":"10.1134/S0022476626080081","DOIUrl":"10.1134/S0022476626080081","url":null,"abstract":"<p>A series of heterometallic tetrahedral cluster complexes with the general formula [{Re<sub>4–<i>x</i></sub>M<sub><i>x</i></sub>S<sub>4</sub>}(CN)<sub>12</sub>]<sup><i>n</i>–</sup> (M = Mo, W; <i>x</i> = 2, 3) is prepared by the interaction of ReI<sub>3</sub> with molybdenum(VI) or tungsten(VI) trioxides MO<sub>3</sub>, elemental sulfur, and KCN at moderately high temperatures. The composition and structure of all the complexes is studied by single-crystal XRD and high-resolution mass spectrometry. It is shown that varying the stoichiometry of the reaction mixture in reaction with MoO<sub>3</sub> yields [{ReMo<sub>3</sub>S<sub>4</sub>}(CN)<sub>12</sub>]<sup>7–</sup> and [{Re<sub>2</sub>Mo<sub>2</sub>S<sub>4</sub>}(CN)<sub>12</sub>]<sup>6–</sup> cluster anions as individual compounds, whereas compounds based on [{ReW<sub>3</sub>S<sub>4</sub>}(CN)<sub>12</sub>]<sup>7–</sup> and [{Re<sub>2</sub>W<sub>2</sub>S<sub>4</sub>}(CN)<sub>12</sub>]<sup>6–</sup> anions are formed simultaneously independently of initial ReI<sub>3</sub>/WO<sub>3</sub> ratios. Nevertheless, these compounds are of great interest as rare examples of heterometallic rhenium and tungsten clusters.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 8","pages":"1743 - 1752"},"PeriodicalIF":1.5,"publicationDate":"2026-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148903349","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}
K. M. Bolshakov, A. A. Filippov, D. B. Vinogradov, I. D. Del’tsov, A. A. Larin, L. L. Fershtat
{"title":"Synthesis, Structure, and Physicochemical Properties of 3-Iodo-1,3-Dinitroazetidine (IDNAZ)","authors":"K. M. Bolshakov, A. A. Filippov, D. B. Vinogradov, I. D. Del’tsov, A. A. Larin, L. L. Fershtat","doi":"10.1134/S0022476626080172","DOIUrl":"10.1134/S0022476626080172","url":null,"abstract":"<p>A simple and convenient method is developed to synthesize a novel energetic structure: 3-iodo-1,3-dinitroazetidine (IDNAZ). The target compound is obtained in a 68% yield by nitration of 1-(<i>tert</i>-butyl)-3-iodo-3-nitroazetidine with a mixture of nitric acid and trifluoroacetic anhydride in acetonitrile. Quantum chemical calculations are performed for the IDNAZ molecule, and the molecular electrostatic potential distribution is established. The obtained results are discussed together with the X-ray diffraction data for related compounds. All synthesized compounds are fully characterized by <sup>1</sup>H and <sup>13</sup>C NMR spectroscopy, IR spectroscopy, and electron-impact mass spectrometry. Furthermore, their thermal stability is investigated by differential scanning calorimetry.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 8","pages":"1853 - 1862"},"PeriodicalIF":1.5,"publicationDate":"2026-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148903421","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Noncovalent Interactions in Nucleoside Complexes with the Zwitterionic form of Glycyl-L-Phenylalanine: a QTAIM and RDG/NCI Study","authors":"M. S. Kurbatova, V. P. Barannikov","doi":"10.1134/S0022476626080184","DOIUrl":"10.1134/S0022476626080184","url":null,"abstract":"<p>Supramolecular complexes of the zwitterionic form of the glycyl-L-phenylalanine dipeptide with nucleosides (uridine, cytidine, adenosine, and guanosine) are investigated by quantum chemical simulations. Geometry optimization is performed using density functional theory; energy characteristics and electron density topology are analyzed using the quantum theory of atoms in molecules. It is shown that the complexes are stabilized by multiple intermolecular hydrogen bonds involving the protonated amino group <span>(text{NH}_{3}^{+})</span>, the carboxylate fragment COO<sup>–</sup>, and the functional groups of nucleosides. Topological analysis of the electron density confirms the presence of medium-strength hydrogen bonds and numerous weak non-covalent interactions forming a cooperative network of intermolecular contacts. The stability of the complexes in a polarizable medium modeling the properties of water is shown to decrease in the series cytidine > guanosine > adenosine > uridine.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 8","pages":"1863 - 1879"},"PeriodicalIF":1.5,"publicationDate":"2026-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148903422","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Rare Example of Mononuclear Homoleptic Hafnium(IV) Aryloxide – Synthesis and Structure","authors":"A. Noor, S. Qayyum","doi":"10.1134/S0022476626080147","DOIUrl":"10.1134/S0022476626080147","url":null,"abstract":"<p>First example of structurally characterized mononuclear homoleptic aryloxide of hafnium(IV) is reported using alkane elimination route. The herein isolated hafnium(IV) tatrakis(2,6-diisopropylphenoxide), a rare example of homoleptic group 4 aryloxides is synthesized via toluene elimination reaction by reacting four equivalents of 2,6-diisopropylphenol with tetrabenzylhafnium precursor. The compound [C<sub>48</sub>H<sub>68</sub>HfO<sub>4</sub>], crystallized in the monoclinic space group, <i>C</i>2/<i>c</i> with unit cell parameters: <i>a</i> = 25.3120(6) Å, <i>b</i> = 10.8760(4) Å, <i>c</i> = 20.1250(5) Å, β = 125.939(3)°, <i>V</i> = 4485.6(2)) A<sup>3</sup>, <i>Z</i> = 4. The hafnium atom adopts a tetrahedral environment composed of oxygen atoms of the aryloxide ligands with crystal packing showing C⋯H π-interactions.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 8","pages":"1823 - 1828"},"PeriodicalIF":1.5,"publicationDate":"2026-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148903423","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}
D. I. Pavlov, Y. M. Emelyanova, U. A. Makogon, A. A. Ryadun, A. S. Potapov
{"title":"New Arylamino-Substituted 2,1,3-Benzothiadiazoles: Synthesis, Structure, and Fluorescent Response to Cu(II) Cations","authors":"D. I. Pavlov, Y. M. Emelyanova, U. A. Makogon, A. A. Ryadun, A. S. Potapov","doi":"10.1134/S0022476626080020","DOIUrl":"10.1134/S0022476626080020","url":null,"abstract":"<p>Interaction of 4,7-dibromo-2,1,3-benzothiadiazole with methyl <i>p</i>-aminobenzoate under Buchwald–Hartwig amination conditions yields new derivatives: 4,7-di((4-methoxycarbonylphenyl)amino)-2,1,3-benzothiadiazole (<b>1</b>) and 4-bromo-7-((4-methoxycarbonylphenyl)amino)-2,1,3-benzothiadiazole (<b>2</b>). The structures of the compounds is determined by single-crystal XRD, NMR, and elemental analysis. The photophysical properties of the obtained compounds are studied both in solution and in the solid state. The luminescence of <b>1</b> is selectively quenched in the presence of Cu(II) cations, thereby highlighting prospects of using this compound as a fluorescent sensor.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 8","pages":"1672 - 1681"},"PeriodicalIF":1.5,"publicationDate":"2026-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148903347","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}
N. A. Korobeynikov, A. N. Usoltsev, E. A. Radiush, S. A. Adonin
{"title":"Erratum to: Crystal Structure of Two Bismuth(III) Bromide Complexes with Protonated L-Phenylalanine and L-Ornithine","authors":"N. A. Korobeynikov, A. N. Usoltsev, E. A. Radiush, S. A. Adonin","doi":"10.1134/S0022476626080196","DOIUrl":"10.1134/S0022476626080196","url":null,"abstract":"","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 8","pages":"1880 - 1880"},"PeriodicalIF":1.5,"publicationDate":"2026-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148903352","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}
A. V. Maleeva, I. A. Yakushev, A. S. Bogomyakov, A. V. Klimashevskaya, K. V. Arsenieva, N. O. Druzhkov, P. V. Dorovatovskii, A. V. Piskunov
{"title":"Cyclic Trimeric Triradical Indium(III) Complex with a Bridging Tetrazine Ligand in the Radical Anion State","authors":"A. V. Maleeva, I. A. Yakushev, A. S. Bogomyakov, A. V. Klimashevskaya, K. V. Arsenieva, N. O. Druzhkov, P. V. Dorovatovskii, A. V. Piskunov","doi":"10.1134/S0022476626080111","DOIUrl":"10.1134/S0022476626080111","url":null,"abstract":"<p>A cyclic triradical metal complex is constructed from bridging 3,6-di(pyridin-2-yl)-1,2,4,5-tetrazine (pytz) radical anions and indium cations. Molecular and crystal structures of the synthesized compound are determined by the single crystal X-ray diffraction analysis. According to the magnetochemical studies, strong antiferromagnetic coupling between unpaired electrons of tetrazine radical anions stabilizes the ground doublet spin state in the trinuclear indium complex obtained, with the quadruplet state being thermally available.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 8","pages":"1778 - 1791"},"PeriodicalIF":1.5,"publicationDate":"2026-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148903441","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}
O. V. Sedelnikova, Yu. V. Fedoseeva, D. V. Gorodetskiy, A. V. Gusel’nikov, A. D. Fedorenko, E. V. Lisitsa, O. A. Gurova, L. G. Bulusheva, A. V. Okotrub
{"title":"Effect of Heating in Ammonia on the Photoconductivity of a Diamond Soft X-Ray Detector","authors":"O. V. Sedelnikova, Yu. V. Fedoseeva, D. V. Gorodetskiy, A. V. Gusel’nikov, A. D. Fedorenko, E. V. Lisitsa, O. A. Gurova, L. G. Bulusheva, A. V. Okotrub","doi":"10.1134/S0022476626080123","DOIUrl":"10.1134/S0022476626080123","url":null,"abstract":"<p>Polycrystalline diamond films are promising materials for the fabrication of X-ray detectors. This work concerns the effect of heating a polycrystalline diamond film in an ammonia atmosphere at 600 °C on the surface chemical state and photoconductivity under irradiation with bremsstrahlung from a copper anode X-ray tube. The diamond film is synthesized by chemical vapor deposition from a hydrogen-pentane mixture activated by microwave plasma discharge. Conductive electrodes having the comb-shaped meander geometry are formed on the film surface by ultraviolet laser irradiation at a wavelength of 355 nm. The chemical state of the material surface is investigated by X-ray photoelectron and Raman spectroscopic techniques. Heating in ammonia is found to alter the compositions and structures of both the initial diamond film surface and the laser–treated regions. Amino groups are attached to the diamond film surface (with a nitrogen concentration of about 1 at. %), increasing its electrical conductivity. The laser–treated regions contain approximately 7 at. % of nitrogen in graphitic and pyridinic forms as well as in amino groups. The chemical modification of the sample and the increased structural ordering of the carbon material in the conductive electrodes enhance the diamond film photoconductivity upon soft X-ray radiation absorption. </p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 8","pages":"1792 - 1805"},"PeriodicalIF":1.5,"publicationDate":"2026-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148903353","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}