Inorganic Chemistry Frontiers最新文献_第2页

UN@C2(13)-C84: A Diatomic Cluster with a U≡N Triple Bond inside a C84 Fullerene Cage

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2025-02-17 DOI: 10.1039/d4qi03242j

Ning Chen, Qingyu Meng, Yannick Roselló, Yi Shen, Yang-Rong Yao, Josep M. Poblet, Antonio Rodriguez-Fortea

{"title":"UN@C2(13)-C84: A Diatomic Cluster with a U≡N Triple Bond inside a C84 Fullerene Cage","authors":"Ning Chen, Qingyu Meng, Yannick Roselló, Yi Shen, Yang-Rong Yao, Josep M. Poblet, Antonio Rodriguez-Fortea","doi":"10.1039/d4qi03242j","DOIUrl":"https://doi.org/10.1039/d4qi03242j","url":null,"abstract":"A novel monometallic nitride clusterfullerene, UN@C84, has been successfully synthesized and characterized. Single-crystal X-ray diffraction analysis reveals that a rare diatomic UN cluster, one of the smallest known encapsulated clusters, is encapsulated within a carbon cage of C2(13)-C84, featuring a U≡N triple bond with a very short bond length of 1.763(10) Å. This bond length remains nearly unchanged compared to previously reported UN@C82 isomers, suggesttng that the intrinsic nature of the encapsulated U≡N triple bond was not affected by cage size. Furthermore, combined with the previous studies about the metal position and the symmetry plane of the carbon cage, we discover that in monometallic endohedral metallofullerenes, the encapsulated metal atom preferentially aligns not only with the symmetry plane but also with the symmetry axis of the fullerene cage, namely the symmetry elements of the carbon cage, thereby preserving the overall molecular symmetry. These results deepen our understanding of positional principles for encapsulated metal atoms and provide valuable guidance for the crystallographic refinement of EMFs, offering new insights into the structural analysis, prediction, and further exploration of novel EMFs.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"88 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143426995","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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 bifunctional heterostructure promoting the kinetics and stability of sulfur cathodes in advanced aluminum–sulfur batteries

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2025-02-17 DOI: 10.1039/d4qi02117g

Xiao Zheng, Xiaoqi Han, Wenjiao Yao, Liangming Wei, Jie Zhu, Yongbing Tang

{"title":"A bifunctional heterostructure promoting the kinetics and stability of sulfur cathodes in advanced aluminum–sulfur batteries","authors":"Xiao Zheng, Xiaoqi Han, Wenjiao Yao, Liangming Wei, Jie Zhu, Yongbing Tang","doi":"10.1039/d4qi02117g","DOIUrl":"https://doi.org/10.1039/d4qi02117g","url":null,"abstract":"The aluminum–sulfur battery is an ideal energy storage device with the merits of low cost, safety, and high energy density. However, due to the poor conductivity of sulfur and its soluble discharge products, the kinetics of sulfur and polysulfide redox reactions are very slow. Herein, a porous flaky Ti3C2Tx-Co host material is designed, which can form a Ti3C2Tx-CoSx heterostructure in situ with sulfur. The unique heterostructure provides many catalytic anchoring sites and active sites for enhancing the adsorption and conversion of sulfur and polysulfides. Compared with pure Ti3C2Tx, Ti3C2Tx-CoSx greatly reduces the decomposition energy barrier of discharge products and accelerates the redox kinetics of sulfur species. The Ti3C2Tx-CoSx@S cathode realizes fast charging at 1 A g−1 and achieves a long cycle life of 1000 cycles with discharge capacities in the range of 215–358 mA h g−1. Even at 1.5 A g−1, the cathode can still achieve a capacity greater than 190 mA h g−1 for over 1500 cycles. Using Ti3C2Tx-Co as the host of sulfur, a reversible redox reaction among S, S− and S2− occurred during the charge–discharge process, indicating its potential for use in high-performance Al–S batteries.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"7 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143426958","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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 characterization of neutral and cationic 1‑tris(pyrazolyl)borate organo-beryllium complexes

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2025-02-17 DOI: 10.1039/d4qi03234a

Chantsalmaa Berthold, Gilles Stebens, Burkhard Butschke, Inga-Alexandra Bischoff, André Schäfer, Chengxiang Ding, Sudip Pan, Magnus Richard Buchner

引用次数: 0

Heavy Atom engineering of Ru(II) Complex based Sonosensitizers for Enhancing Antifungal Therapy

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2025-02-17 DOI: 10.1039/d5qi00180c

Qian Li, Yida Pang, Shiming Liang, Yujia Jiao, Sheng Qiu, Hui Chen, Long-Can Mei, Huiling Wang, Xi wen Xing, Yao Sun

{"title":"Heavy Atom engineering of Ru(II) Complex based Sonosensitizers for Enhancing Antifungal Therapy","authors":"Qian Li, Yida Pang, Shiming Liang, Yujia Jiao, Sheng Qiu, Hui Chen, Long-Can Mei, Huiling Wang, Xi wen Xing, Yao Sun","doi":"10.1039/d5qi00180c","DOIUrl":"https://doi.org/10.1039/d5qi00180c","url":null,"abstract":"Despite advance on antifungal therapy in the past decade, the issues of fungal resistance and a lack of effective treatments are still of major concern in clinical practice. Recently, sonodynamic therapy (SDT) is at the forefront of the research on biomedicine, yet, the employment of sonosensitizers and SDT on antifungal infections is still on its early stages. Herein, we designed and synthesized a series of Ru(II) complex-based sonosensitizers (RuH-RuBr) with enhancing ultrasound-triggered ROS generation for antifungal applications. The heavy atom (etc. Br) engineering strategy has been well employed to narrow the HOMO-LUMO energy gap of Ru(II) sonosensitizers, particularly in RuBr, which resulted in a significant boost in ROS generation (11.8 fold). In vitro results indicated that RuBr demonstrated both good anti-Candida albicans activity (MIC = 5 μM) and low mammalian cells toxicity (survivial rate > 80%) under US irradiation. Further mechanism investigation suggested RuBr initially aggregated on the fungal cell membrane and subsequently ultrasound-activated ROS accumulation, leading to mitochondrial damage and triggering changes of mitochondrial membrane potential. In vivo studies also revealed that RuBr exhibited similar antifungal performance but lower systemic toxicity when compared to the conventional clinical antifungal amphotericin B (AmB). This research offered significant insights into the design of high-performance sonosensitisers and lay the foundation for innovative antifungal therapeutic strategies.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"1 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143426994","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Rate-dependent structure-electrochemistry relationships and origins of capacity fading in P2-type Na2/3Fe2/3Mn1/3O2

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2025-02-14 DOI: 10.1039/d4qi02804j

Damian Goonetilleke, Begoña Silvan, Elena Gonzalo, Montserrat Galcerán, Montse Casas-Cabanas, Maxim Avdeev, François Fauth, Teófilo Rojo, Neeraj Sharma, Damien Saurel

{"title":"Rate-dependent structure-electrochemistry relationships and origins of capacity fading in P2-type Na2/3Fe2/3Mn1/3O2","authors":"Damian Goonetilleke, Begoña Silvan, Elena Gonzalo, Montserrat Galcerán, Montse Casas-Cabanas, Maxim Avdeev, François Fauth, Teófilo Rojo, Neeraj Sharma, Damien Saurel","doi":"10.1039/d4qi02804j","DOIUrl":"https://doi.org/10.1039/d4qi02804j","url":null,"abstract":"Sodium transition metal oxides with layered structures have generated significant research interest as promising cathode materials for use in ambient temperature sodium-ion batteries. In this study, the structure and magnetic properties of P2-Na2/3Fe2/3Mn1/3O2 are investigated, in tandem with operando diffraction studies to resolve the structural changes taking place in the material when subject to variable current cycling in the range 1.5–4.2 V vs. Na+/Na0. Complementary diffraction studies are used to provide insight into the mechanism of sodium de-intercalation in P2-Na2/3Fe2/3Mn1/3O2 at low rates, as well as high current densities up to 1 C, enabled by the excellent time resolution allowed by high intensity synchrotron radiation. The structural evolution is found to differ markedly depending on the applied current density which illustrates the need to perform such structural studies under various applied current rates to better understand processes taking place in the electrode. The results obtained shed new light on the reaction mechanism of P2-type layered oxides and provide insight into some of the causes for their capacity fading.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"104 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2025-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143418145","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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 Non-Precious Metal Complexes (Al, Mg, Zn) and Their Catalytic Application in Isocyanate Reduction

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2025-02-14 DOI: 10.1039/d4qi02853h

Ziyuan Pang, Xiaoli Ma, Wenliang Yan, Yiwen Chen, Xiaobo Yang, Congjian Ni, Peng Wu, Zhi Yang

引用次数: 0

Effect of chiral camphor thiolate ligands on the structure and stability of Au19 nanoclusters

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2025-02-13 DOI: 10.1039/d5qi00167f

Xiaoya Zhang, Shuwen Wu, Qinzhen Li, Jinsong Chai, guiqi gao, Baoyu Huang, Sha Yang, Manzhou Zhu

{"title":"Effect of chiral camphor thiolate ligands on the structure and stability of Au19 nanoclusters","authors":"Xiaoya Zhang, Shuwen Wu, Qinzhen Li, Jinsong Chai, guiqi gao, Baoyu Huang, Sha Yang, Manzhou Zhu","doi":"10.1039/d5qi00167f","DOIUrl":"https://doi.org/10.1039/d5qi00167f","url":null,"abstract":"Based on the well-defined atomic structure, chiral clusters are represented to describe the origin of nanomaterial-like chirality laying the foundation for the application of chiral materials. However, their chiral application is limited due to chiral phosphines, amines, and carboxylic acids protected clusters with weak chiral stability, and the thiols protected clusters are stable but the types of chiral thiols are few along with high price. In this study, the chiral camphor thiols are designed and prepared from natural products. Based on this novel chiral thiol ligand, a pair of novel R/S-Au19(SR)13DPPM chiral clusters are obtained. Structural anatomies show that their chiral origin is diverse and the core distortion is more significant compared to their counterparts. Subsequent stability tests show that both of them are stable in the thermal, alkaline, and reducing environment, which is a solid foundation for their application in the corresponding environment. Importantly, the chiral thiol ligands designed in this study could provide new opportunities for the preparation of stable chiral nanoclusters and their applications.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"16 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143401925","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Superacidic Aluminum Azido Species: Precursor to Triazolyl Dimers, Trimers and Tetramers

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2025-02-13 DOI: 10.1039/d5qi00038f

Shaoying Ju, Jiingjie Tan, Ting Chen, Weili Yan, Ning Xi, Douglas W. Stephan, Yile Wu

引用次数: 0

Incorporating metal active centers into covalent organic frameworks for boosting CO2 photoreduction

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2025-02-12 DOI: 10.1039/d4qi02904f

Ming-zhen Chen, Hai-rong Zhao, Kai-ming Zhang, Hong-jing Zhu, Hai-bao Duan, Xiao-Ming Ren

{"title":"Incorporating metal active centers into covalent organic frameworks for boosting CO2 photoreduction","authors":"Ming-zhen Chen, Hai-rong Zhao, Kai-ming Zhang, Hong-jing Zhu, Hai-bao Duan, Xiao-Ming Ren","doi":"10.1039/d4qi02904f","DOIUrl":"https://doi.org/10.1039/d4qi02904f","url":null,"abstract":"Photocatalytic CO2 reduction into valuable chemical fuels is a highly desirable subject in the field of photosynthesis. Nevertheless, the performance of most current photocatalytic CO2 reduction catalysts remains a significant challenge for practical applications. In this study, we present the achievement of anchoring of nickel (Ni) metal sites onto a flexible and stable covalent organic framework (COF-Tp-Azo) for photocatalytic CO2 reduction. It is noteworthy that the flexibility of the framework plays a crucial role in improving the adsorption of carbon dioxide, as it minimizes steric hindrance. On incorporating varying amounts of metal active species into the COFs, the resultant COF-Tp-Azo-Nix demonstrates a pronounced influence on the catalytic activity. Specifically, COF-Tp-Azo-Ni0.33 exhibits a high CO production rate of 9742.5 μmol g−1 h−1 with a selectivity as high as 98.8% under visible light irradiation, representing the highest production and selectivity for reported nickel-based COFs. The photoelectrochemical experiments demonstrate that the covalent bonding between Ni2+ and COF-Tp-Azo inhibits the recombination of photogenerated charge carriers and facilitates electron migration, thereby enhancing catalytic activity. Additionally, theoretical calculations reveal that the low energy barrier in both the absorption process between Ni-COF-Tp-Azo and CO2, as well as the protonation process for Ni-*COO, contributes to the superior catalytic activity of COF-Tp-Azo-Nix. This work opens a new pathway to high-performance catalysts for CO2 photoreduction.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"21 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2025-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143401926","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Isovalent cation substitution drives structural transformation and infrared nonlinear optical activity in Eu-based chalcogenides

IF 7 1区化学

Inorganic Chemistry Frontiers Pub Date : 2025-02-12 DOI: 10.1039/d4qi03346a

Ping Feng, Shenghua Zhou, Mao-Yin Ran, Bing-Xuan Li, Xintao Wu, Hua Lin, Qi-Long Zhu

{"title":"Isovalent cation substitution drives structural transformation and infrared nonlinear optical activity in Eu-based chalcogenides","authors":"Ping Feng, Shenghua Zhou, Mao-Yin Ran, Bing-Xuan Li, Xintao Wu, Hua Lin, Qi-Long Zhu","doi":"10.1039/d4qi03346a","DOIUrl":"https://doi.org/10.1039/d4qi03346a","url":null,"abstract":"The development of Eu-based chalcogenides with exceptional nonlinear optical (NLO) performance in the infrared (IR) region has garnered increasing attention. However, the design and synthesis of such compounds with non-centrosymmetric (NCS) structures remain a significant challenge. In this study, we report the successful synthesis of a novel quaternary Eu-based chalcogenide, β-EuZnGeS₄, achieved through an isovalent cation substitution strategy starting from the ternary parent compound Eu₂GeS₄. This innovative approach induces a structural transformation from centrosymmetric to non-centrosymmetric, thereby enhancing the NLO properties. β-EuZnGeS₄ crystallizes in the orthorhombic Fdd2 space group, with a unique two-dimensional [ZnGeS₄]²⁻ layer structure that accommodates Eu²⁺ cations. Notably, β-EuZnGeS₄ exhibits a well-balanced set of optical properties, including a remarkable phase-matching second-harmonic generation (SHG) effect, with its maximum SHG value being twice that of AgGaS₂ with a 2050 nm laser. Additionally, it demonstrates a high laser-induced damage threshold, surpassing AgGaS₂ by a factor of 13.1, along with a broad transparency window extending from 0.39 to 23.7 μm. Theoretical calculations further reveal that these outstanding optical properties stem from the synergistic effects of the highly distorted tetrahedral [ZnS₄] and [GeS₄] motifs within the crystal lattice. This work not only expands the material database for rare-earth metal chalcogenides but also provides a novel strategy for designing NCS structures with tailored optical properties for a wide range of applications.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"22 1","pages":""},"PeriodicalIF":7.0,"publicationDate":"2025-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143393763","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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