Chemistry - A European Journal最新文献_第8页

Correlation Between NMR Coupling Constants and σ-Donating Properties of N-Heterocyclic Carbenes and Their Derivatives. NMR 耦合常数与 N-Heterocyclic Carbenes 及其衍生物的σ-捐献特性之间的相关性。

IF 3.9 2区化学

Chemistry - A European Journal Pub Date : 2025-01-17 Epub Date: 2024-12-05 DOI: 10.1002/chem.202403403

Radhika Gupta, Gilles Frison

{"title":"Correlation Between NMR Coupling Constants and σ-Donating Properties of N-Heterocyclic Carbenes and Their Derivatives.","authors":"Radhika Gupta, Gilles Frison","doi":"10.1002/chem.202403403","DOIUrl":"10.1002/chem.202403403","url":null,"abstract":"Is the 1JC-H coupling constant for protonated carbene a relevant measure of its σ-donation ability? This paper addresses this question by comparing calculated 1JC-H values with various experimental and theoretical approaches across a broad spectrum of carbene compounds. We examined Arduengo-type NHCs based on the 2-imidazolylidene scaffold and many other derivatives with modified frameworks, including carbenes with extended, saturated, or conjugated rings, reduced heteroatom stabilization, alternative heteroatoms, permanently charged carbenes, acyclic carbenes, amidocarbenes, and cyclic amino(alkyl/aryl) carbenes, carbodicarbenes and carbodiphosphoranes. Our findings reveal a nuanced relationship between different parameters associated with σ-interaction, such as 1JC-H, Huynh electronic parameter (HEP), σ-donation from ETS-NOCV, and lone pair energy. Notably, the best correlation was observed between 1JC-H and the ETS-NOCV method, particularly for mono- and diaminocarbenes, highlighting the utility of 1JC-H in comparing σ-donation among structurally similar carbene types. However, the use of 1JC-H as a universal measure across all carbene classes appears limited, especially when considering carbenes with significantly different structural frameworks. While HEP is less effective for carbenes with diverse structural backbones, our study suggests that 1JC-H has potential across a broader range of systems. Additionally, the analysis demonstrates that lone pair energy reflects basicity rather than σ-donor ability.","PeriodicalId":144,"journal":{"name":"Chemistry - A European Journal","volume":" ","pages":"e202403403"},"PeriodicalIF":3.9,"publicationDate":"2025-01-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142680280","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Guest Diffusion Versus Recrystallization in A Single Crystal: Two Growing Mechanisms for Griseofulvin Clathrates. 客体扩散与单晶体中的再结晶：格列齐芬胶凝物的两种生长机制。

IF 3.9 2区化学

Chemistry - A European Journal Pub Date : 2025-01-17 Epub Date: 2024-12-27 DOI: 10.1002/chem.202403488

Enrico Spoletti, Mariana O Diniz, Michael Svärd, Åke Rasmuson, Sarah P Hudson, Matteo Lusi

引用次数: 0

A Hybrid BN-doped nanographene with narrow emission bandwidths for OLEDs.

IF 3.9 2区化学

Chemistry - A European Journal Pub Date : 2025-01-17 DOI: 10.1002/chem.202404078

Viacheslav Diev, Yunlong Zou, Denis Kondakov, Glenn Yap

引用次数: 0

A Strongly Coupled 1T'-ReSe₂@2H-MoSe₂ van der Waals Heterostructure for Efficient Electrocatalytic Hydrogen Evolution at High Current Densities. 强耦合 1T'-ReSe2@2H-MoSe2 范德瓦耳斯异质结构，用于在高电流密度下高效电催化氢气进化。

IF 3.9 2区化学

Chemistry - A European Journal Pub Date : 2025-01-17 Epub Date: 2024-11-19 DOI: 10.1002/chem.202403433

Xingchen Zhang, Dongfang Zhang, Dingyi Zhou, Xinya Chen, Jinying Zhang, Zhiyong Wang

{"title":"A Strongly Coupled 1T'-ReSe2@2H-MoSe2 van der Waals Heterostructure for Efficient Electrocatalytic Hydrogen Evolution at High Current Densities.","authors":"Xingchen Zhang, Dongfang Zhang, Dingyi Zhou, Xinya Chen, Jinying Zhang, Zhiyong Wang","doi":"10.1002/chem.202403433","DOIUrl":"10.1002/chem.202403433","url":null,"abstract":"Developing efficient and durable non-noble metal electrocatalysts for high current-density hydrogen evolution reactions (HER) is a pressing requirement for commercial industrial electrolyzers. In this study, a vertical 1T'-ReSe2@2H-MoSe2 van der Waals heterostructure was developed through interface engineering to enhance the advantages of each component and expose numerous active sites. Experimental investigations and density functional theory calculations demonstrate significant electronic coupling at the interface between 1T'-ReSe2 and 2H-MoSe2, with suitable Gibbs free energy for hydrogen adsorption. The 1T'-ReSe2@2H-MoSe2 heterostructure catalyst achieves high current density HER with low overpotentials of 191 mV to generate up to 800 mA/cm2 in 0.5 M H2SO4, outperforming commercial 5 % Pt/C catalysts. Moreover, this catalyst exhibits rapid reaction kinetics and long-term durability, illustrating a successful approach to designing efficient heterostructure electrocatalysts for hydrogen production through interface engineering.","PeriodicalId":144,"journal":{"name":"Chemistry - A European Journal","volume":" ","pages":"e202403433"},"PeriodicalIF":3.9,"publicationDate":"2025-01-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142520488","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Modulating the Supramolecular Assembly of α-Cyclodextrin and Anderson-type Polyoxometalate through Covalent Modifications. 通过共价修饰调节 α-Cyclodextrin 和安德森型聚氧化金属酸盐的超分子组装。

IF 3.9 2区化学

Chemistry - A European Journal Pub Date : 2025-01-17 Epub Date: 2024-11-21 DOI: 10.1002/chem.202403520

Chun-Yan Liu, Yun-Jing Mu, Wu-Ji Chen, Yi-An Yin, Chang-Gen Lin, Haralampos N Miras, Yu-Fei Song

引用次数: 0

Translating Solid-Phase Conformational Memory in the Prophecy of Multi-stimuli Responsive Low Molecular Weight Gels. 多刺激响应低分子量凝胶预言中的固相构象记忆转化。

IF 3.9 2区化学

Chemistry - A European Journal Pub Date : 2025-01-17 Epub Date: 2024-11-27 DOI: 10.1002/chem.202403467

Himanshu Sharma, Debabrat Pathak, Niharika Tanwar, Pankaj Tiwari, Bipul Sarma

{"title":"Translating Solid-Phase Conformational Memory in the Prophecy of Multi-stimuli Responsive Low Molecular Weight Gels.","authors":"Himanshu Sharma, Debabrat Pathak, Niharika Tanwar, Pankaj Tiwari, Bipul Sarma","doi":"10.1002/chem.202403467","DOIUrl":"10.1002/chem.202403467","url":null,"abstract":"Polymorphism and its screening to select the best-performing form is in high demand. In low molecular weight organogels (LMWG), gelators are designed as they contain flexible groups, functionalities capable of varied H-bonding, and increased the potential to show polymorphism. We synthesized a bis-urea based LMWG G1 and isolated three distinct polymorphic phases (Form I, II, and III). G1 polymorphs showed noticeable differences in solubility; precisely, Form I is highly soluble compared to the other two. Gel screening was carried out for all three polymorphs using different stimuli like heat-cool, sonication, shaking, and grinding. Among the polymorphs, Form I was found to have better gelling ability which was reflected by the solvent scope, thermal stability (gel-sol transition temperature Tgel), minimum gelator concentration (M.G.C.), stimuli-responsiveness, morphology, and rheological properties. The differences in their gelation performance among the three polymorphs are associated with their solubility parameter. Stimuli like sonication, shaking, and grinding triggered Form I to form a gel. Form II and III responded to heat-cool stimuli only due to poor solubility. Therefore, it is noted crucial to add polymorph screening as an integral part of the gel synthesis to avoid problems associated with reproducibility in the gel prophecy of LMWG systems.","PeriodicalId":144,"journal":{"name":"Chemistry - A European Journal","volume":" ","pages":"e202403467"},"PeriodicalIF":3.9,"publicationDate":"2025-01-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142666533","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Cyclometalated Ir^III Complex Possessing Chiral MIC ligand: Regiospecific sp³ C-H Activation and Asymmetric Transfer Hydrogenation of Ketone. 具有手性 MIC 配体的环金属化 IrIII 复合物：特定区域 sp3 C-H 活化和酮的不对称转移加氢。

IF 3.9 2区化学

Chemistry - A European Journal Pub Date : 2025-01-17 Epub Date: 2024-12-10 DOI: 10.1002/chem.202403516

Tarak Nath Saha, Bhaskar Mondal, Rina Mahato, Rajat Naskar, Chinmoy Kumar Hazra, Ramananda Maity

{"title":"Cyclometalated IrIII Complex Possessing Chiral MIC ligand: Regiospecific sp3 C-H Activation and Asymmetric Transfer Hydrogenation of Ketone.","authors":"Tarak Nath Saha, Bhaskar Mondal, Rina Mahato, Rajat Naskar, Chinmoy Kumar Hazra, Ramananda Maity","doi":"10.1002/chem.202403516","DOIUrl":"10.1002/chem.202403516","url":null,"abstract":"Cyclometalation offers a wide number of organometallic metallacycles showing diverse applications. However, such NHC complexes synthesized via an sp3 C-H bond activation are rare. An iridium(III) complex with a chiral mesoionic N-heterocyclic carbene (MIC) ligand, where the IrIII forms an additional Ir-C bond via a regiospecific sp3 C-H bond activation at the N-methylbenzyl wingtip, was synthesized and characterized. To our best knowledge, this represents the first example of cyclometalated iridium(III) complex possessing a chiral MIC donor ligand. The formation of the complex was followed by 2D correlation NMR spectroscopy and the molecular formula mass was evidenced by ESI-HRMS mass spectrometry. The molecular structure of the IrIII-MIC complex was unambiguously established by the single crystal XRD data. This cyclometalated IrIII complex was employed in the asymmetric transfer hydrogenation of 4-bromoacetophenone, and the complex was successful to transfer chirality to the final alcohol molecules (up to 92 % ee).","PeriodicalId":144,"journal":{"name":"Chemistry - A European Journal","volume":" ","pages":"e202403516"},"PeriodicalIF":3.9,"publicationDate":"2025-01-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142737681","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

One-Step Hydrothermal Synthesis of Glucose-Induced Low Crystallinity NiCo-Based Layered Double Hydroxides for High-Performance Asymmetric Supercapacitors.

IF 3.9 2区化学

Chemistry - A European Journal Pub Date : 2025-01-17 Epub Date: 2024-12-13 DOI: 10.1002/chem.202403439

Xiaoyang Cheng, Lihua Zhang, Lingyan Li, Hao Wu, Jinfeng Zheng, Jiao Sun, Guifang Li

{"title":"One-Step Hydrothermal Synthesis of Glucose-Induced Low Crystallinity NiCo-Based Layered Double Hydroxides for High-Performance Asymmetric Supercapacitors.","authors":"Xiaoyang Cheng, Lihua Zhang, Lingyan Li, Hao Wu, Jinfeng Zheng, Jiao Sun, Guifang Li","doi":"10.1002/chem.202403439","DOIUrl":"10.1002/chem.202403439","url":null,"abstract":"In order to improve the electrochemical performance of NiCo-based layered double hydroxide (NiCoLDH), the synthesis of low-crystallinity NiCoLDH was induced by the adsorption of glucose and NiCoLDH. The results showed that glucose could not only effectively regulate the pore structure and morphology of NiCoLDH, but also had a regular effect on crystallinity. Pure phase NiCoLDH had higher crystallinity. When the mass of glucose is 0.05 g, the prepared NiCoLDH-0.05 is a short-range ordered structure embedded in the amorphous matrix. The crystallinity of the product decreases further with the further increase of glucose mass. Since the ordered structures have higher electrical conductivity, and amorphous structures have more defects and active sites, the structure of NiCoLDH-0.05 is conducive to achieving the best electrochemical performance. Electrochemical test results show that NiCoLDH-0.05 has a high specific capacitance, about 12 times that of the pure phase NiCoLDH, the mass of glucose is higher than or below 0.05 g, the specific capacitance will be further reduced. NiCoLDH-0.05 and activated carbon assembled into an asymmetric supercapacitor have a power density of 400 W kg-1 at an energy density of 32.7 Wh kg-1. This study provides a new idea for obtaining excellent electrochemical properties by adjusting LDH crystallinity.","PeriodicalId":144,"journal":{"name":"Chemistry - A European Journal","volume":" ","pages":"e202403439"},"PeriodicalIF":3.9,"publicationDate":"2025-01-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142783552","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Highly Efficient and Selective Synthesis of Renewable Isoprene Over Mo-Fe-O and MgO/Mg(OH)₂ Composite Catalysts. 在 Mo-Fe-O 和 MgO/Mg(OH)2 复合催化剂上高效、选择性地合成可再生异戊二烯。

IF 3.9 2区化学

Chemistry - A European Journal Pub Date : 2025-01-17 Epub Date: 2024-11-16 DOI: 10.1002/chem.202403375

Lulu Xu, Shuo Liu, Shikun Li, Lei Wang, Xiangju Meng, Feng-Shou Xiao, Trees De Baerdemaeker, Andrei-Nicolae Parvulescu, Weiping Zhang

{"title":"Highly Efficient and Selective Synthesis of Renewable Isoprene Over Mo-Fe-O and MgO/Mg(OH)2 Composite Catalysts.","authors":"Lulu Xu, Shuo Liu, Shikun Li, Lei Wang, Xiangju Meng, Feng-Shou Xiao, Trees De Baerdemaeker, Andrei-Nicolae Parvulescu, Weiping Zhang","doi":"10.1002/chem.202403375","DOIUrl":"10.1002/chem.202403375","url":null,"abstract":"Synthesis of renewable isoprene continues to attract significant interest, yet catalysts still need improvement for industrial applications. We report herein an efficient and novel Prins tandem approach for highly selective production of isoprene from bio-based methanol and isobutene over Mo-Fe-O and MgO/Mg(OH)2 acid-base bifunctional catalysts. Hydration decreases the number of strong basic sites O2- ions and increases OH groups over MgO, thus improving the isoprene selectivity. Basic OH on Mg(OH)2 promotes the Prins condensation of formaldehyde and isobutene, while acidic OH promotes dehydration of isoprenol to isoprene. Suitable contents and proportions of basic and acidic OH groups over Mg(OH)2 increase isoprene selectivity and methanol conversion to 90 and 92 % on the Mo-Fe-O+Mg(OH)2 composite catalysts, respectively. It exhibits good recycling stability, with isoprene selectivity remaining 90 % after five successive regenerations. DFT calculations reveal OH groups formed after hydration reduce the energy barrier of the H transfer step, thereby promoting the overall reaction.","PeriodicalId":144,"journal":{"name":"Chemistry - A European Journal","volume":" ","pages":"e202403375"},"PeriodicalIF":3.9,"publicationDate":"2025-01-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142542334","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Luminescent Radical Polymers. 发光辐射聚合物。

IF 3.9 2区化学

Chemistry - A European Journal Pub Date : 2025-01-17 Epub Date: 2024-11-18 DOI: 10.1002/chem.202403493

Ziteng Zhang, Jianyu Zhang, Jing Zhi Sun, Haoke Zhang, Xinghong Zhang, Ben Zhong Tang

引用次数: 0