European Journal of Inorganic Chemistry最新文献_第8页

The Pt(II)-Azaphosphatriptycenes Gear Mechanism: Computational Insights into How Z/E Geometry Influences Rotational Behavior Pt(II)- azaphospriptycenes齿轮机构：Z/E几何形状如何影响旋转行为的计算见解

IF 1.8 4区化学

European Journal of Inorganic Chemistry Pub Date : 2026-07-15 Epub Date: 2026-06-04 DOI: 10.1002/ejic.70243

Nayim Sepay, Nabanita Kundu, Aratrika Chakraborty, Sukanya Chakrabarti, Nupur Basu, Haimanti Mallik, Mostafizur Rahman

{"title":"The Pt(II)-Azaphosphatriptycenes Gear Mechanism: Computational Insights into How Z/E Geometry Influences Rotational Behavior","authors":"Nayim Sepay, Nabanita Kundu, Aratrika Chakraborty, Sukanya Chakrabarti, Nupur Basu, Haimanti Mallik, Mostafizur Rahman","doi":"10.1002/ejic.70243","DOIUrl":"https://doi.org/10.1002/ejic.70243","url":null,"abstract":"The study explores how Z/E geometry of azaphosphatriptycene (azpt) units influences rotational behavior in Pt(II)-azpt complexes. Using molecular dynamics (MD) (100 ns, methanol, 300–380 K), potential energy surface(PES) scans, density functional theory (DFT), quantum theory of atoms in molecules (QTAIM)/noncovalent interaction (NCI), EDA analysis, Hirshfeld mapping, and quantum descriptors, we reveal why the two isomers act as oscillating or rotating molecular gears. The Z isomer (1a) exhibits torsional motion and a higher rotational barrier (∼38.1 kcal·mol−1). This barrier indicates the rotor is mechanically interlocked, preventing spontaneous free rotation under thermal conditions and forcing a compression of the ClPtCl angle alongside a PPtP expansion. Dense networks of CH···π, CH···ClPt, and π–π interactions stabilize conformers, preventing full rotation. In contrast, the E isomer (1b) is strain-free, stabilized only by dynamic CH···Cl contacts that break and reform, yielding low barriers (∼2.1 kcal·mol−1) and MD evidence of 360° rotation at elevated temperatures. Electronic differences are confirmed by HOMO–LUMO gaps, hardness/softness, and electrophilicity. Both isomers undergo photo/thermal isomerism, altering noncovalent interactions and crystal packing, where they form 1D chains. Overall, the article highlights how steric and noncovalent forces must be balanced to enable gear-like rotation in molecular machines.","PeriodicalId":38,"journal":{"name":"European Journal of Inorganic Chemistry","volume":"29 20","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148532660","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}

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Correction to “Understanding Structural Dynamics in Flexible Rare-Earth Metal-Organic Frameworks” 更正“理解柔性稀土金属-有机框架的结构动力学”

IF 1.8 4区化学

European Journal of Inorganic Chemistry Pub Date : 2026-07-15 Epub Date: 2026-06-04 DOI: 10.1002/ejic.70241

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(C2N4H7S)(H2PO3): Optical Properties Study of a Metal-Free Amidinothiourea Phosphite （C2N4H7S）（H2PO3）：无金属氨基硫脲亚磷酸酯的光学性质研究

IF 1.8 4区化学

European Journal of Inorganic Chemistry Pub Date : 2026-07-15 Epub Date: 2026-06-02 DOI: 10.1002/ejic.70244

Yue-Ling Sun, An-Hua Gong

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The Role of Multiple Triplet Excited States in Luminescent Tb(III) Coordination Polymers and Their Triplet Tuning Methods 多三重态激发态在Tb（III）配位聚合物中的作用及其三重态调谐方法

IF 1.8 4区化学

European Journal of Inorganic Chemistry Pub Date : 2026-07-15 Epub Date: 2026-05-24 DOI: 10.1002/ejic.70234

Serika Tasaki, Takuma Nakai, Mengfei Wang, Yasuchika Hasegawa, Yuichi Kitagawa

{"title":"The Role of Multiple Triplet Excited States in Luminescent Tb(III) Coordination Polymers and Their Triplet Tuning Methods","authors":"Serika Tasaki, Takuma Nakai, Mengfei Wang, Yasuchika Hasegawa, Yuichi Kitagawa","doi":"10.1002/ejic.70234","DOIUrl":"https://doi.org/10.1002/ejic.70234","url":null,"abstract":"Trivalent terbium (Tb(III)) coordination polymers exhibit photosensitized metal-centered emission via strong ligand absorption. Clarification of the photosensitized emission mechanism is of critical importance for the development of luminescent Tb(III) coordination polymers. Herein, we demonstrate the role of the multiple excited ligand triplet states in photosensitized Tb(III) emission. In the prepared Tb(III) coordination polymers, Tb(III) is coordinated with three hexafluoroacetylacetonate (hfa) and phosphine oxide bridging ligands. The investigation of photophysical properties revealed that the multiple triplet excited states act as quenching sites for Tb(III) emission in the photosensitization process. The lowest and second-lowest energy levels of the triplet excited states are determined by time-resolved emission spectra. Quantum chemical calculations indicate that the triplet electronic structures originate from two types of hfa ligands, each characterized by a different dihedral angle within the π-conjugated plane. The triplet electronic structure tunings were also demonstrated by incorporating different lanthanide ions (Gd(III) or Lu(III)) into the Tb(III) coordination polymer to enhance the photosensitized emission. These findings provide valuable insights into the design strategies for highly luminescent Tb(III) coordination polymers.","PeriodicalId":38,"journal":{"name":"European Journal of Inorganic Chemistry","volume":"29 20","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148522729","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}

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Layer Geometry Modulation in Cu(II) Coordination Networks Based on Disubstituted Bis(imidazolyl)benzene Ligands 基于双取代双咪唑苯配体的Cu（II）配位网络中的层几何调制

IF 1.8 4区化学

European Journal of Inorganic Chemistry Pub Date : 2026-07-15 Epub Date: 2026-06-04 DOI: 10.1002/ejic.70242

Martina Bucci, Massimo Guelfi, Marco Lessi, Marco Taddei, Giulio Bresciani

{"title":"Layer Geometry Modulation in Cu(II) Coordination Networks Based on Disubstituted Bis(imidazolyl)benzene Ligands","authors":"Martina Bucci, Massimo Guelfi, Marco Lessi, Marco Taddei, Giulio Bresciani","doi":"10.1002/ejic.70242","DOIUrl":"https://doi.org/10.1002/ejic.70242","url":null,"abstract":"The structural chemistry of two-dimensional Cu(II) coordination networks constructed from ring-disubstituted bis(imidazolyl)benzene ligands has been investigated in order to elucidate the combined influence of ligand functionalization and counteranion identity on layer geometry, packing, and framework stability. The dimethyl-substituted ligand (bibMe2) affords three closely related layered frameworks when combined with copper(II) nitrate (UdP-8-NO3), copper(II) perchlorate (UdP-8-ClO4), or copper(II) tetrafluoroborate (UdP-8-BF4), leading to new compounds of formula [Cu(bibMe2)2(X)2]·nSolv (X = NO3, ClO4 or BF4). UdP-8-NO3 and UdP-8-ClO4 were obtained both in single crystal and powder form. On the other hand, UdP-8-BF4 could only be isolated as a powder. UdP-8-NO3 and UdP-8-ClO4 are isoreticular at the local coordination level, showing a sql topology, but display markedly different layer arrangements, stacking modes, interlayer separations, and accessible void volumes. These structural differences translate into a pronouncedly different response to external stimuli, as revealed by PXRD-based stability tests under humidity, vacuum, and variable temperature conditions. Extension to a methoxy-disubstituted ligand (bibOMe2) yields single crystals of a further two-dimensional Cu(II) network describable with a formula [Cu(bibOMe2)2(ClO4)2] (UdP-9-ClO4). This compound could only be isolated as single crystals; therefore, no further characterization was carried out.","PeriodicalId":38,"journal":{"name":"European Journal of Inorganic Chemistry","volume":"29 20","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ejic.70242","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148532665","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}

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Formation of Eight-Membered Cyclopalladate Amidines and Their Application as a Catalyst for Suzuki–Miyaura Coupling 八元环palladate脒的形成及其作为Suzuki-Miyaura偶联催化剂的应用

IF 1.8 4区化学

European Journal of Inorganic Chemistry Pub Date : 2026-07-15 Epub Date: 2026-06-04 DOI: 10.1002/ejic.70246

Fen Xu, Fan-Wang Zeng, Yuan Feng, Fu-Hao Zheng, Yi-Xuan Wang, Zhi-Yun Wang, Xu Zhang, Luciano Barboni

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Bimetallic Lithium–Cobalt(II) Complexes Based on β-Diketiminate Ligands: Syntheses, Structures, and Utilization as Catalysts for the Construction of Trisubstituted Benzenes 基于β-二酮酸配体的双金属锂-钴（II）配合物：合成、结构及作为三取代苯催化剂的应用

IF 1.8 4区化学

European Journal of Inorganic Chemistry Pub Date : 2026-07-15 Epub Date: 2026-06-13 DOI: 10.1002/ejic.70247

Xue Gao, Yahong Li

{"title":"Bimetallic Lithium–Cobalt(II) Complexes Based on β-Diketiminate Ligands: Syntheses, Structures, and Utilization as Catalysts for the Construction of Trisubstituted Benzenes","authors":"Xue Gao, Yahong Li","doi":"10.1002/ejic.70247","DOIUrl":"https://doi.org/10.1002/ejic.70247","url":null,"abstract":"A series of cobalt–lithium bimetallic complexes and a monometallic cobalt complex of formulas [(L1)CoCl2Li(Et2O)2] (1), [(L2)CoCl2Li(Et2O)(THF)] (2), [(L3)CoCl2Li(THF)2] (3), [(L4)CoCl2Li(THF)2] (4), and [(L5)CoCl] (5) (HL1 = 2,4,6-tricyclopentyl-N-4-((2-methoxyphenyl)imino)pent-2-en-2-yl)-aniline; HL2 = N-(4-((4-chlorophenyl)imino)pent-2-en-2-yl)-2,4,6-tricyclopentyl-aniline; HL3 = N-(4-((2,4,6-trimethyl)imino)pent-2-en-2-yl)-2,4,6-tricyclopentylaniline; HL4 = N-(4-((2,6-dimethyl phenyl)imino)pent-2-en-2-yl)-2,6-diisopropylaniline; and HL5 = N-(4-((pyridin-2-ylmethyl)imino)pent-2-en-2-yl)-2,6-diisopropyl-aniline) were synthesized and characterized. The targets of this work were to study the influences of changes in the substituents of the ligand backbones on the structures and catalytic properties of the cobalt–lithium bimetallic complexes. Their catalytic performances were evaluated in the [2 + 2 + 2] cyclotrimerization of terminal alkynes. All complexes exhibited catalytic activity, with bimetallic complex 1 exhibiting superior efficiency compared to the monometallic complex 5 and other bimetallic analogs. Under the optimized conditions, the catalytic reactions proceeded under mild room-temperature conditions, displaying broad substrate compatibility and affording the corresponding aromatic products in good to excellent isolated yields. This work demonstrates the potential of bimetallic cobalt(II)-lithium complexes as practical and efficient catalysts for aromatic ring construction via alkyne cyclotrimerization.","PeriodicalId":38,"journal":{"name":"European Journal of Inorganic Chemistry","volume":"29 20","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148533177","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}

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A Deep-Blue Emitting Macrocyclic Digold(I) Complex Supported by a Bridging Multiresonance Ligand 一种桥接多共振配体支持的深蓝发光大环双金(I)配合物

IF 1.8 4区化学

European Journal of Inorganic Chemistry Pub Date : 2026-07-15 Epub Date: 2026-06-12 DOI: 10.1002/ejic.70248

Li Jiang, Sijie Xian, Yi Zhang, Sai Luo, Hua-Chao Liu, Kai Li

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Cation Distribution in Li2CaSiO4:Gd, Pr, Na Uncovered Through Anomalous Diffraction 通过异常衍射揭示Li2CaSiO4:Gd， Pr， Na中的阳离子分布

IF 1.8 4区化学

European Journal of Inorganic Chemistry Pub Date : 2026-07-15 Epub Date: 2026-06-16 DOI: 10.1002/ejic.70251

Christoph Rick, Raphael Steinbach, Daniel M. Többens, Thomas Jüstel, Joachim Breternitz

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Dilithium Enediamide Derived From a 1,4-Diaza-1,3-diene: Reactivity of a Strongly N-Basic, Highly C-Nucleophilic Compound Toward C–H Acids 由1,4-二氮杂-1,3-二烯衍生的二烯二胺：一种强n碱性、高度亲c核化合物对C-H酸的反应性

IF 1.8 4区化学

European Journal of Inorganic Chemistry Pub Date : 2026-07-15 Epub Date: 2026-06-15 DOI: 10.1002/ejic.70252

Muhan Liang, Michael Kunze, Helmar Görls, Joachim Scholz

{"title":"Dilithium Enediamide Derived From a 1,4-Diaza-1,3-diene: Reactivity of a Strongly N-Basic, Highly C-Nucleophilic Compound Toward C–H Acids","authors":"Muhan Liang, Michael Kunze, Helmar Görls, Joachim Scholz","doi":"10.1002/ejic.70252","DOIUrl":"https://doi.org/10.1002/ejic.70252","url":null,"abstract":"The lithium enediamide complex [{(THF)2Li}2(tBu-DAD)] (tBu-DADtBuNCHCHNtBu) exhibits pronounced basic and nucleophilic reactivity. C–H-acidic diethyl malonate derivatives RCH(COOEt)2 (RH, Ph) are readily deprotonated to give resonance-stabilised carbanions [RC(COOEt)2]−. The resulting increase in electrophilicity at the carbonyl carbon atoms enables subsequent reaction with the enediamide dianion. In the case of CH2(COOEt)2, this transformation can be viewed as electrophilic substitution at the enediamide unit, leading to C–C bond formation between one of the CC carbon atoms and the ester carbonyl carbon atoms. In contrast, the reaction with PhCH(COOEt)2 corresponds to electrophilic addition to the enediamide CC bond. Steric effects of the phenyl substituent further induce rearrangement of the N–C–C–N framework into an N–C–N–C connectivity within one enediamide unit. Unlike the reactions with other esters, no electron transfer to the diethyl malonate derivatives is observed. Phenylacetylene is likewise deprotonated but subsequently undergoes a cascade of transformations, including enamine alkynylation and hydrovinylation, to yield a lithium complex featuring a 1,2-diamidoethane fragment and an enamide–amine moiety linked by a phenylvinylidene unit. Notably, no redox activity of the enediamide unit is observed in these reactions either.","PeriodicalId":38,"journal":{"name":"European Journal of Inorganic Chemistry","volume":"29 20","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ejic.70252","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148533180","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