European Journal of Inorganic Chemistry最新文献

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Front Cover: Structural and Molecular Basis of Zinc-Induced Primary Nucleation of Polymorphic Amyloid-β Dimers (Eur. J. Inorg. Chem. 30/2025) 封面:锌诱导多形性淀粉样蛋白-β二聚体初成核的结构和分子基础。j . Inorg。化学30/2025)
IF 2 4区 化学
European Journal of Inorganic Chemistry Pub Date : 2025-10-23 DOI: 10.1002/ejic.70084
Karina Abramov Harpaz, Yifat Miller
{"title":"Front Cover: Structural and Molecular Basis of Zinc-Induced Primary Nucleation of Polymorphic Amyloid-β Dimers (Eur. J. Inorg. Chem. 30/2025)","authors":"Karina Abramov Harpaz,&nbsp;Yifat Miller","doi":"10.1002/ejic.70084","DOIUrl":"https://doi.org/10.1002/ejic.70084","url":null,"abstract":"<p><b>The Front Cover</b> presents polymorphic zinc-bound amyloid-β (Aβ) dimer models, derived from an extensive computational study of the molecular basis of zinc-induced Aβ primary nucleation. By revealing how zinc ions influence Aβ dimer structure and stability, the Research Article by K. Abramov Harpaz and Y. Miller (DOI: 10.1002/ejic.202500331) provides new insights into the mechanisms driving early aggregation events in Alzheimer’s disease, offering a molecular framework for future therapeutic strategies.\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure></p>","PeriodicalId":38,"journal":{"name":"European Journal of Inorganic Chemistry","volume":"28 30","pages":""},"PeriodicalIF":2.0,"publicationDate":"2025-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/ejic.70084","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145341645","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Front Cover: Modulating the Crystal Structure of Crown Ether-Appended Tetraazanaphthacenes by Formations of Metal Ion Complex and Their Radical Anion Species (Eur. J. Inorg. Chem. 29/2025) 封面:通过金属离子配合物及其自由基阴离子种类的形成来调节冠醚附四氮杂环烯的晶体结构。j . Inorg。化学29/2025)
IF 2 4区 化学
European Journal of Inorganic Chemistry Pub Date : 2025-10-16 DOI: 10.1002/ejic.70072
Kyosuke Isoda, Kaoru Adachi, Tomoaki Sugaya, Kazuya Kubo, Takayoshi Nakamura, Makoto Tadokoro
{"title":"Front Cover: Modulating the Crystal Structure of Crown Ether-Appended Tetraazanaphthacenes by Formations of Metal Ion Complex and Their Radical Anion Species (Eur. J. Inorg. Chem. 29/2025)","authors":"Kyosuke Isoda,&nbsp;Kaoru Adachi,&nbsp;Tomoaki Sugaya,&nbsp;Kazuya Kubo,&nbsp;Takayoshi Nakamura,&nbsp;Makoto Tadokoro","doi":"10.1002/ejic.70072","DOIUrl":"https://doi.org/10.1002/ejic.70072","url":null,"abstract":"<p><b>The Front Cover</b> depicts the formation process of a three-dimensional coordination polymer derived from crown ether-appended tetraazanaphthacenes. The crown ether moieties first capture metal ions; this is followed by electrochemical reduction of the framework. Finally, the resulting radical anion ligands self-assemble into a three-dimensional coordination polymer structure. More information can be found in the Research Article by K. Isoda, T. Sugaya, M. Tadokoro and co-workers (DOI: 10.1002/ejic.202500332). Illustration by K.I. \u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure></p>","PeriodicalId":38,"journal":{"name":"European Journal of Inorganic Chemistry","volume":"28 29","pages":""},"PeriodicalIF":2.0,"publicationDate":"2025-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/ejic.70072","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145297016","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Front Cover: Formation of Cyclic Selenium Imides via Acyclic Selenium Imide Chlorides in Cyclocondensation of Selenium Dichloride with tert-Butylamine (Eur. J. Inorg. Chem. 28/2025) 封面:在二氯化硒与叔丁胺的环缩合反应中,无环亚胺硒氯化物生成环亚胺硒。j . Inorg。化学28/2025)
IF 2 4区 化学
European Journal of Inorganic Chemistry Pub Date : 2025-10-12 DOI: 10.1002/ejic.70067
Olli J. Pakkanen, J. Mikko Rautiainen, Raija Oilunkaniemi, Tristram Chivers, Heikki M. Tuononen, Risto S. Laitinen
{"title":"Front Cover: Formation of Cyclic Selenium Imides via Acyclic Selenium Imide Chlorides in Cyclocondensation of Selenium Dichloride with tert-Butylamine (Eur. J. Inorg. Chem. 28/2025)","authors":"Olli J. Pakkanen,&nbsp;J. Mikko Rautiainen,&nbsp;Raija Oilunkaniemi,&nbsp;Tristram Chivers,&nbsp;Heikki M. Tuononen,&nbsp;Risto S. Laitinen","doi":"10.1002/ejic.70067","DOIUrl":"https://doi.org/10.1002/ejic.70067","url":null,"abstract":"<p><b>The Front Cover</b> describes the cyclic organic selenium imides and acyclic imidoselenium chlorides that have been isolated and identified upon cyclocondensation of SeCl<sub>2</sub> and <i>t</i>BuNH<sub>2</sub>. The name selenium is derived from <i>selene</i>, the Greek name for the Moon. In their Research Article (DOI: 10.1002/ejic.202500292), H. M. Tuononen, R. S. Laitinen and co-workers present detailed DFT calculations that describe the complicated reaction route in terms of elementary steps involving key intermediate formation, chain extension, and ring closure, in a similar manner to what has been proposed for the formation of cyclophosphazanes and -phosphazenes. Some steps also involve redox processes.\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure></p>","PeriodicalId":38,"journal":{"name":"European Journal of Inorganic Chemistry","volume":"28 28","pages":""},"PeriodicalIF":2.0,"publicationDate":"2025-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/ejic.70067","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145272758","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Diiron Complexes of 3H-1,2,3,5-Dithiadiazolines and the Fate of the Parent Dithiadiazolyl: A Crystallographic and Computational Study 3h -1,2,3,5-二噻二唑啉的二铁配合物和母体二噻二唑的命运:晶体学和计算研究
IF 2 4区 化学
European Journal of Inorganic Chemistry Pub Date : 2025-10-09 DOI: 10.1002/ejic.202500328
Douglas Turnbull, René T. Boeré
{"title":"Diiron Complexes of 3H-1,2,3,5-Dithiadiazolines and the Fate of the Parent Dithiadiazolyl: A Crystallographic and Computational Study","authors":"Douglas Turnbull,&nbsp;René T. Boeré","doi":"10.1002/ejic.202500328","DOIUrl":"https://doi.org/10.1002/ejic.202500328","url":null,"abstract":"<p>Low-temperature crystal structures of iron carbonyl complexes of diamagnetic 4-aryl-3<i>H</i>-1,2,3,5-dithiadiazolines, [Fe<sub>2</sub>{S<sub>2</sub>N(NH)CAr}(CO)<sub>6</sub>] (Ar = 4-C<sub>6</sub>H<sub>4</sub>CF<sub>3</sub> (<b>2</b>), and 4-C<sub>6</sub>H<sub>4</sub>OMe (<b>3</b>)) are reported, alongside a new low-temperature structure of [Fe<sub>2</sub>{S<sub>2</sub>N(NH)CPh}(CO)<sub>6</sub>] (<b>1</b>), in which the presence of an N<span></span>H bond is established unambiguously. Diverse N<span></span>H···N hydrogen bonding networks in <b>1</b>, <b>2</b>, and several variants of <b>3</b> (<b>3a</b>–<b>c</b>) are observed, with intermolecular distances refined to neutron-diffraction accuracy using Hirshfeld atom refinement with nonspherical atomic scattering factors, using a state-of-the-art method. To rationalize the formation of <b>1</b>–<b>3</b> from Fe<sub>3</sub>(CO)<sub>12</sub> and 1,2,3,5-dithiadiazolyl radicals, i.e., the conspicuous absence of paramagnetic [Fe<sub>2</sub>(S<sub>2</sub>N<sub>2</sub>CAr)(CO)<sub>6</sub>] (<b>1</b>′–<b>3</b>′), the thermochemistry of the reactions, and properties of viable intermediates are profiled using density functional theory (DFT) methods. From these calculations, a clear electronic basis for the instability of <b>1</b>′–<b>3</b>′ is revealed: unlike S<sub>2</sub>N<sub>2</sub>CAr<sup>•</sup>, which are stable <i>π</i> radicals, their iron complexes are reactive <i>σ</i> radicals that abstract a hydrogen atom from dry toluene to form the observed diamagnetic complexes. Furthermore, the putative paramagnetic complexes are uniquely susceptible to hydrogen atom transfer and are thus probable intermediates in the syntheses of <b>1</b>–<b>3</b>.</p>","PeriodicalId":38,"journal":{"name":"European Journal of Inorganic Chemistry","volume":"28 30","pages":""},"PeriodicalIF":2.0,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/ejic.202500328","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145341739","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Three-Coordinated Heteroleptic Cu(I) Complexes with Bulky Phosphine Ligands: Influence of Substituents on Photophysical Properties 具有大体积膦配体的三配位杂电性Cu(I)配合物:取代基对光物理性质的影响
IF 2 4区 化学
European Journal of Inorganic Chemistry Pub Date : 2025-10-09 DOI: 10.1002/ejic.202500319
Laxman Sarjerao Kharabe, Jyoti Pannu, Lydie Viau, Soumen Ghosh, Abhinav Raghuvanshi
{"title":"Three-Coordinated Heteroleptic Cu(I) Complexes with Bulky Phosphine Ligands: Influence of Substituents on Photophysical Properties","authors":"Laxman Sarjerao Kharabe,&nbsp;Jyoti Pannu,&nbsp;Lydie Viau,&nbsp;Soumen Ghosh,&nbsp;Abhinav Raghuvanshi","doi":"10.1002/ejic.202500319","DOIUrl":"https://doi.org/10.1002/ejic.202500319","url":null,"abstract":"<p>The design and synthesis of cost-effective and environmentally friendly luminescent materials have great implications and challenges. In this study, bulky phosphine ligands (Sphos and Xphos) are utilized to synthesize a series of three-coordinated Cu(I) complexes with different N^N ligands derived from 1,10-phenanthroline. By employing rigid N^N donor ligands featuring different electron-donating or withdrawing substituents, the emission from 585 to 698 nm with a microseconds lifetime in the solid state can be systematically modulated. While complexes <b>1</b>–<b>3</b> with 1,10-phenanthroline and neocuproine exhibit emission around 590 nm, dicnq (featuring electron-withdrawing groups) coordinated complexes <b>4</b> and <b>5</b> exhibit significantly redshifted emissions to ≈700 nm. The experimental and theoretical studies suggest the occurrence of thermally activated delayed fluorescence with microseconds lifetime and a small ΔE<sub>ST</sub>. This investigation highlights the pivotal role of ligand design in regulating the photophysical characteristics of Cu(I) complexes.</p>","PeriodicalId":38,"journal":{"name":"European Journal of Inorganic Chemistry","volume":"28 30","pages":""},"PeriodicalIF":2.0,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145341740","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
Zinc(II) and Copper(II) Binding of a MUC7 Peptide Fragment: Coordination, Thermodynamic Stability, and Antimicrobial Potency MUC7肽片段的锌(II)和铜(II)结合:配位、热力学稳定性和抗菌效力
IF 2 4区 化学
European Journal of Inorganic Chemistry Pub Date : 2025-10-07 DOI: 10.1002/ejic.202500263
Alicja Krynicka, Wojciech Lizak, Klaudia Szarszoń, Anna Ślusarczyk, Tomasz Janek, Joanna Wątły
{"title":"Zinc(II) and Copper(II) Binding of a MUC7 Peptide Fragment: Coordination, Thermodynamic Stability, and Antimicrobial Potency","authors":"Alicja Krynicka,&nbsp;Wojciech Lizak,&nbsp;Klaudia Szarszoń,&nbsp;Anna Ślusarczyk,&nbsp;Tomasz Janek,&nbsp;Joanna Wątły","doi":"10.1002/ejic.202500263","DOIUrl":"https://doi.org/10.1002/ejic.202500263","url":null,"abstract":"<p>Metal ions play a key role in regulating antimicrobial peptides (AMPs), either inducing or enhancing their effects against pathogens. In human saliva, AMPs, including fragments of the glycoprotein MUC7, form a natural defense against oral and systemic infections. This study investigates a 20-residue MUC7-derived peptide containing three histidine residues as potential coordination sites for divalent metal ions. Complexes are analyzed using electrospray ionization mass spectrometry, potentiometry, and spectroscopic methods: ultraviolet–visible spectroscopy, circular dichroism, and electron paramagnetic resonance, together with antimicrobial assays. Cu(II) coordination did not significantly alter secondary structure or improve antimicrobial properties. In contrast, Zn(II) induced conformational changes under alkaline conditions, correlating with slightly enhanced antimicrobial performance. Proline, tyrosine, and phenylalanine residues likely modulate metal coordination through steric hindrance and conformational effects. These findings highlight the role of metal coordination in modulating AMP function. Although this particular MUC7-derived fragment exhibits only modest antimicrobial activity compared to other known fragments of this protein, its distinct metal-binding behavior suggests that it may serve an alternative biological role in the oral environment beyond direct pathogen inhibition.</p>","PeriodicalId":38,"journal":{"name":"European Journal of Inorganic Chemistry","volume":"28 29","pages":""},"PeriodicalIF":2.0,"publicationDate":"2025-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145296942","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
The Reduction of Group 6–8 Transition Metal Oxides with Hydrogen—From Ore Smelting to Reaction Pathways# 6-8族过渡金属氧化物的氢还原——从矿石冶炼到反应途径#
IF 2 4区 化学
European Journal of Inorganic Chemistry Pub Date : 2025-10-07 DOI: 10.1002/ejic.202500089
Michael Häger, Simon Keilholz, Holger Kohlmann
{"title":"The Reduction of Group 6–8 Transition Metal Oxides with Hydrogen—From Ore Smelting to Reaction Pathways#","authors":"Michael Häger,&nbsp;Simon Keilholz,&nbsp;Holger Kohlmann","doi":"10.1002/ejic.202500089","DOIUrl":"https://doi.org/10.1002/ejic.202500089","url":null,"abstract":"<p>The reduction of transition metal oxides with hydrogen is currently used in the production of various transition metals, e.g., molybdenum, tungsten, rhenium, and may potentially be applied to others, especially iron, in the future. The gas–solid reduction process is well suited for investigations using in situ X-ray powder diffraction. This method allows for the study of influences such as temperature, heating rate, reaction time, impurities, or water partial pressure on crystal structures, reaction pathways, intermediates, crystallite sizes, or phase transitions with high time resolution. For some transition metals, extensive investigations have already been conducted while others have not been subject of in situ studies so far. Herein, the production processes for transition metals of groups 6–8 have been summarized, including how well the production method has been studied, whether in situ methods are employed and what results the use of such methods promises.</p>","PeriodicalId":38,"journal":{"name":"European Journal of Inorganic Chemistry","volume":"28 30","pages":""},"PeriodicalIF":2.0,"publicationDate":"2025-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/ejic.202500089","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145341471","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Cyclic Porphyrin Dimers with a Slipped Cofacial Arrangement Through Coordination Linkage of Phosphine Oxide Substituents with Yb(III) and Lu(III) Complexes 氧化膦取代基与Yb(III)和Lu(III)配合物配位键形成滑面排列的环卟啉二聚体
IF 2 4区 化学
European Journal of Inorganic Chemistry Pub Date : 2025-09-30 DOI: 10.1002/ejic.202500318
Sunao Shoji, Kota Inage, Saki Mori, Yuichi Kitagawa, Yasuchika Hasegawa, Koji Fushimi, Yuji Mikata, Takashi Kitayama
{"title":"Cyclic Porphyrin Dimers with a Slipped Cofacial Arrangement Through Coordination Linkage of Phosphine Oxide Substituents with Yb(III) and Lu(III) Complexes","authors":"Sunao Shoji,&nbsp;Kota Inage,&nbsp;Saki Mori,&nbsp;Yuichi Kitagawa,&nbsp;Yasuchika Hasegawa,&nbsp;Koji Fushimi,&nbsp;Yuji Mikata,&nbsp;Takashi Kitayama","doi":"10.1002/ejic.202500318","DOIUrl":"https://doi.org/10.1002/ejic.202500318","url":null,"abstract":"<p>Porphyrin derivatives have been widely studied as models for (bacterio)chlorophyll pigments, and various dimeric architectures have been constructed through covalent or noncovalent bonds to mimic the special pairs found in photosynthetic reaction centers. Herein, novel cyclic porphyrin dimers are reported that are formed through the coordination between <i>meso</i>-substituted porphyrins bearing two phosphine oxide groups and lanthanide complexes, Ln(hfa)<sub>3</sub> (Ln = Yb, Lu; hfa = hexafluoroacetylacetonate). Single-crystal X-ray analysis of the Yb(III) complex revealed a slipped cofacial arrangement, in which two porphyrin units are bridged by Yb(III) centers via phosphine oxide coordination, closely resembling natural special pairs. The resulting dimers are stable in toluene and exhibit broadened Soret bands and redshifted Q bands compared to the monomeric porphyrin ligand. Upon porphyrin photoexcitation, the Yb(III) complex shows near-infrared luminescence from the Yb(III) center, while the porphyrin fluorescence intensity is essentially unaffected, demonstrating potential for oxygen sensing (<i>Φ</i><sub>Yb</sub>(Ar)/<i>Φ</i><sub>Yb</sub>(air) = 4.8). Transient absorption measurements confirmed the extended T<sub>1</sub> lifetime of the porphyrin units within the dimer structure. The dimers also show enhanced photostability under blue-light irradiation compared to the monomer. This study presents the first example of the Yb(III)-coordinated slipped cofacial porphyrin dimer with ratiometric oxygen-sensing capability and high photostability.</p>","PeriodicalId":38,"journal":{"name":"European Journal of Inorganic Chemistry","volume":"28 28","pages":""},"PeriodicalIF":2.0,"publicationDate":"2025-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145273062","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
Front Cover: Uranyl Nanotubules and Nanospheres: Inspired by Curvature in Phosphonates and Arsonates (Eur. J. Inorg. Chem. 27/2025) 封面:铀酰纳米管和纳米球:受曲率启发在膦酸盐和胂酸盐(欧元)。j . Inorg。化学27/2025)
IF 2 4区 化学
European Journal of Inorganic Chemistry Pub Date : 2025-09-29 DOI: 10.1002/ejic.70064
Pius O. Adelani
{"title":"Front Cover: Uranyl Nanotubules and Nanospheres: Inspired by Curvature in Phosphonates and Arsonates (Eur. J. Inorg. Chem. 27/2025)","authors":"Pius O. Adelani","doi":"10.1002/ejic.70064","DOIUrl":"https://doi.org/10.1002/ejic.70064","url":null,"abstract":"<p><b>The Front Cover</b> shows eight uranyl phosphonate and arsonate nanotubules and nanospheres. These materials represent a diverse family of self-assembling nanoscale structures, whose topological variety, intricate architectures, and functional properties arise from continued advances in synthetic chemistry. The Review by P. O. Adelani (DOI: 10.1002/ejic.202500222) highlights three decades of research aimed at understanding actinide materials for nuclear waste disposal and advanced nuclear fuel cycles.\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure></p>","PeriodicalId":38,"journal":{"name":"European Journal of Inorganic Chemistry","volume":"28 27","pages":""},"PeriodicalIF":2.0,"publicationDate":"2025-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/ejic.70064","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145197154","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Formation of Cyclic Selenium Imides via Acyclic Selenium Imide Chlorides in Cyclocondensation of Selenium Dichloride with tert-Butylamine 二氯化硒与叔丁胺环缩合反应中无环亚胺硒氯化物生成环亚胺硒
IF 2 4区 化学
European Journal of Inorganic Chemistry Pub Date : 2025-09-26 DOI: 10.1002/ejic.202500292
Olli J. Pakkanen, J. Mikko Rautiainen, Raija Oilunkaniemi, Tristram Chivers, Heikki M. Tuononen, Risto S. Laitinen
{"title":"Formation of Cyclic Selenium Imides via Acyclic Selenium Imide Chlorides in Cyclocondensation of Selenium Dichloride with tert-Butylamine","authors":"Olli J. Pakkanen,&nbsp;J. Mikko Rautiainen,&nbsp;Raija Oilunkaniemi,&nbsp;Tristram Chivers,&nbsp;Heikki M. Tuononen,&nbsp;Risto S. Laitinen","doi":"10.1002/ejic.202500292","DOIUrl":"https://doi.org/10.1002/ejic.202500292","url":null,"abstract":"<p>The energetics and mechanisms of cyclocondensation reactions between SeCl<sub>2</sub> and <sup><i>t</i></sup>BuNH<sub>2</sub> in 1:3 molar ratio are examined using density functional theory with implicit solvation in tetrahydrofuran at 193 K. The results give strong support for the proposed stepwise pathway consisting of three key steps: 1) formation of an acyclic building block <sup><i>t</i></sup>BuN(H)SeCl, 2) chain growth to ClSe[N(<sup><i>t</i></sup>Bu)Se]<sub><i>n</i></sub>Cl (<i>n</i> = 1–3, <b>7</b>–<b>9</b>), and 3) ring closure to 1,3,5-Se<sub>3</sub>(N<sup><i>t</i></sup>Bu)<sub>3</sub> (<b>1</b>), 1,3,5,7-Se<sub>4</sub>(N<sup><i>t</i></sup>Bu)<sub>4</sub> (<b>2</b>), 1,3-Se<sub>3</sub>(N<sup><i>t</i></sup>Bu)<sub>2</sub> (<b>3</b>), or 1,3,5-Se<sub>4</sub>(N<sup><i>t</i></sup>Bu)<sub>3</sub> (<b>4</b>). The paths leading to <b>3</b> and <b>4</b> include additional redox steps and diradical intermediates to generate Se<span></span>Se bonds. The proposed paths share common intermediates, which allows the rationalization of the experimental product distribution as well as changes to it upon altering the stoichiometry or the total SeCl<sub>2</sub> concentration. The results further show that the successive addition of [N(<sup><i>t</i></sup>Bu)Se] units quickly becomes energy neutral, decreasing the likelihood for the formation of molecules with more than eight atoms by cyclocondensation. Plausible mechanisms explaining the formation of the 15-membered ring 1,3,6,8,11,13-Se<sub>9</sub>(N<sup><i>t</i></sup>Bu)<sub>6</sub> (<b>5</b>) involve the coupling of diradical intermediates or redox processes converting SeCl<sub>2</sub> to Se<sub>2</sub>Cl<sub>2</sub>, both of which might also play a role in the generation of <span></span>Se<span></span>Se<span></span>Se<span></span> functionalities in 1,5-Se<sub>6</sub>(N<sup><i>t</i></sup>Bu)<sub>2</sub> (<b>6</b>).</p>","PeriodicalId":38,"journal":{"name":"European Journal of Inorganic Chemistry","volume":"28 28","pages":""},"PeriodicalIF":2.0,"publicationDate":"2025-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/ejic.202500292","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145273077","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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