Chemistry - A European Journal最新文献_第10页

Reactivity of [{Cp'Fe(μ-I)}2] toward 3-phospha- and 3-arsaethynolate [{Cp'Fe(μ-I)}2]对3-磷酸和3-氨基乙酯的反应性。

IF 3.9 2区化学

Chemistry - A European Journal Pub Date : 2025-07-04 DOI: 10.1002/chem.202501339

Dr. Katharina Münster, Jasper Mindner, William-Dale Möller, Dr. Dirk Baabe, Dr. Iker del Rosal, Prof. Dr. Laurent Maron, Prof. Dr. Marc D. Walter

{"title":"Reactivity of [{Cp'Fe(μ-I)}2] toward 3-phospha- and 3-arsaethynolate","authors":"Dr. Katharina Münster, Jasper Mindner, William-Dale Möller, Dr. Dirk Baabe, Dr. Iker del Rosal, Prof. Dr. Laurent Maron, Prof. Dr. Marc D. Walter","doi":"10.1002/chem.202501339","DOIUrl":"10.1002/chem.202501339","url":null,"abstract":"[{Cp'Fe(μ-I)}2] (I; Cp’ = η5–1,2,4-(Me3C)3C5H2) reacts with [Na(OCP)(1,4-dioxane)x] and K(OCAs) to yield [(Cp'Fe)2(μ-η2:η2-P2)(μ-CO)] (1) and [(Cp'Fe)2(μ-η2:η2-As2)(μ-CO)] (3), respectively. While complex 1 was previously accessed by Scherer and co-workers using rather harsh reaction conditions, the new synthetic method already proceeds at ambient temperature. UV-light irradiation of 1 and 3 induces CO release forming complexes [(Cp'Fe)2(μ-η2:η2-E2)] (E = P (2) and As (4)), respectively. However, both reactions also yielded several byproducts which were spectroscopically identified. Furthermore, upon thermally triggered CO elimination from 3 the Fe3As6-cluster [(Cp'Fe)3(As3)2] (5) is isolated in low yield. In addition, zero-field 57Fe Mössbauer spectra were recorded on complexes 1–4 and computational studies complement the experimental findings and provide additional insights into the bonding in these complexes and the reaction pathways resulting in the formation of complexes 1–4.","PeriodicalId":144,"journal":{"name":"Chemistry - A European Journal","volume":"31 41","pages":""},"PeriodicalIF":3.9,"publicationDate":"2025-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/chem.202501339","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144558616","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Role of an Auxiliary Donor and Ethynyl π-Spacer in a New Phenothiazine Derivative as a Dye for Dye-Sensitized Solar Cells 辅助供体和乙基π-间隔剂在染料敏化太阳能电池染料中的作用。

IF 3.9 2区化学

Chemistry - A European Journal Pub Date : 2025-07-04 DOI: 10.1002/chem.202501351

Muhammad Faisal Amin, Paweł Gnida, Jan Grzegorz Małecki, Sonia Kotowicz, Radosław Motyka, Ewa Schab-Balcerzak

{"title":"Role of an Auxiliary Donor and Ethynyl π-Spacer in a New Phenothiazine Derivative as a Dye for Dye-Sensitized Solar Cells","authors":"Muhammad Faisal Amin, Paweł Gnida, Jan Grzegorz Małecki, Sonia Kotowicz, Radosław Motyka, Ewa Schab-Balcerzak","doi":"10.1002/chem.202501351","DOIUrl":"10.1002/chem.202501351","url":null,"abstract":"A new donor-donor-π-acceptor 2-cyano-3-(7-(2-(4-methoxyphenyl)ethynyl)-10-ethyl-10H-phenothiazin-3-yl)acrylic acid (PEDCA) has been synthesized in good yield and was characterized using nuclear magnetic resonance (NMR) and Fourier transform infrared spectroscopy (FTIR) spectroscopies. The obtained phenothiazine (PTZ) derivative was explored in dye-sensitized and tandem dye-sensitized solar cells (TDSCs). For reference purposes, the devices based on commercial organometallic dye N719 and a similar PTZ-based dye but without auxiliary donor and ethynyl π-spacer, that is, 2-cyano-3-(10-ethyl-10H-phenothiazin-3-yl)acrylic acid (PEC) were used. The experimental results had also been supported by theoretical calculations performed by employing density functional theory. It was observed that the presence of an auxiliary donor and an ethynyl π-spacer in PTZ unexpectedly decreased the molar absorption coefficient. However, this modification positively influenced the dye loading on the photoanode, which led to a 37% increase in the power conversion efficiency (PCE) of the dye-sensitized solar cell (DSSC) compared to the device sensitized with PEC. Further modifications to the device architecture allowed to obtain DSSC with efficiency above 7%. Despite the fact that the molar absorption coefficients of the PEC solution were higher compared to the PEDCA solution, the key issue is the number of dye molecules, which determines the photocurrent obtained, as shown in the following studies.","PeriodicalId":144,"journal":{"name":"Chemistry - A European Journal","volume":"31 41","pages":""},"PeriodicalIF":3.9,"publicationDate":"2025-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144558618","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}

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Ring-Opening Chlorination and Bromination of Pyrazolopyridines and Isoxazoles 吡唑吡啶和异恶唑开环氯化和溴化反应。

IF 3.9 2区化学

Chemistry - A European Journal Pub Date : 2025-07-04 DOI: 10.1002/chem.202501589

Hugo Ohki, Prof. Dr. Junichiro Yamaguchi

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Discrete Heterotrimetallic Assemblies Based on Rod-Shaped Fe^II-Metalloligands and a Zn^II-Porphyrin/Ru^II-Metallacycle. 基于非金属配体和非金属卟啉/非金属金属循环的离散异质三金属组件。

IF 3.9 2区化学

Chemistry - A European Journal Pub Date : 2025-07-03 DOI: 10.1002/chem.202501811

Agnese Amati, Giacomo Cecot, Irene Regeni, Erica Giraldi, Kay Severin, Nicola Demitri, Elisabetta Iengo

{"title":"Discrete Heterotrimetallic Assemblies Based on Rod-Shaped FeII-Metalloligands and a ZnII-Porphyrin/RuII-Metallacycle.","authors":"Agnese Amati, Giacomo Cecot, Irene Regeni, Erica Giraldi, Kay Severin, Nicola Demitri, Elisabetta Iengo","doi":"10.1002/chem.202501811","DOIUrl":"10.1002/chem.202501811","url":null,"abstract":"An efficient strategy for the preparation of heterometallic discrete porphyrin assemblies, tuned both in dimensions and number of metal centers, is described. Five rod-shaped di-pyridyl FeII-metalloligands, with varied length (1.5 - 3.2 nm), lateral substituents, and number of iron centers, were used to bridge two RuII-metallacycles, made of two coplanar ZnII-porphyrin each. The resulting architectures consist of four RuII complexes, four zinc-porphyrins, and either two or four FeII-clathrochelate units. Earlier, geometrically similar sandwich-like architectures were based on purely organic connectors. Among other novel characteristics, the use of metalloligands was found to be beneficial for the overall stability, thus allowing for a solution-based characterization of the assemblies. Single crystal X-ray structures were determined for the complete collection, highlighting additional key features: the two facing ZnII-porphyrin platforms are set wide apart according to the span of the two connecting metalloligands, while the latter are parallelly aligned by the anchoring ZnII-porphyrin/RuII-metallacycles, at fixed inter Fe··Fe distance(s). Mutual control over these geometrical parameters is very strict, as evidenced by self-sorting experiments. Useful implementation of these systems into functional systems may be envisaged by pairing the peripheral metalloporphyrin photosensitizers with photo/redox/catalytically active inner metal cores.","PeriodicalId":144,"journal":{"name":"Chemistry - A European Journal","volume":" ","pages":"e202501811"},"PeriodicalIF":3.9,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144551507","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

The Nature and Stability of Transition Metal-Anchored Nitrogen-Doped Graphene Single-Atom Catalysts. 过渡金属锚定氮掺杂石墨烯单原子催化剂的性质和稳定性。

IF 3.9 2区化学

Chemistry - A European Journal Pub Date : 2025-07-03 DOI: 10.1002/chem.202501654

Angelina N van Dam, Pascal Vermeeren

{"title":"The Nature and Stability of Transition Metal-Anchored Nitrogen-Doped Graphene Single-Atom Catalysts.","authors":"Angelina N van Dam, Pascal Vermeeren","doi":"10.1002/chem.202501654","DOIUrl":"10.1002/chem.202501654","url":null,"abstract":"Transition metal-anchored nitrogen-doped graphene single-atom catalysts (SACs) represent an emerging class of catalysts that combine the advantages of both homogeneous and heterogeneous catalysis. To prevent demetallation and ensure catalyst stability, sufficiently strong bonds between the transition metal and the support are essential. We have quantum chemically analyzed the trend in bonding interaction between period 4 transition metals (TM = Ti, V, Cr, Mn, Fe, Co, Ni, Cu, and Zn) and the four-nitrogen-doped graphene support. We find that the metal-support interactions strengthen from Ti to Ni but weaken from Ni to Zn. Activation strain and Kohn-Sham molecular orbital (KS-MO) analyses reveal that this trend stems from changes in the interaction between the metal's 3dxy atomic orbital and the nitrogen lone pair orbitals of the support. As we move along period 4, the bonding mechanism changes from an increasingly more stabilizing HOMO-LUMO interaction (TM = Ti-Ni), due to the higher effective nuclear charge of the metal, to a less favorable HOMO-SOMO (TM = Cu) and unfavorable HOMO-HOMO (TM = Zn) interaction, as a result of the filling of the metal's 3dxy atomic orbital. This results in the observed strengthening, followed by weakening, of the metal-support interaction. These insights could guide the rational design of future single-atom catalysts.","PeriodicalId":144,"journal":{"name":"Chemistry - A European Journal","volume":" ","pages":"e202501654"},"PeriodicalIF":3.9,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144551509","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

Discotic Liquid Crystalline Phenazine Derivatives. 盘状液晶非那嗪衍生物。

IF 3.7 2区化学

Chemistry - A European Journal Pub Date : 2025-07-03 DOI: 10.1002/chem.202501279

Alakananda Patra, Sandeep Kumar, Md Lutfor Rahman

引用次数: 0

Pd-Catalyzed Regiodivergent N6 Versus Cvinyl Arylation of 8-Vinyl Adenine Nucleosides, Sequential Diarylation, Fluorescence Properties, and Computational Evaluations. pd催化的8-乙烯基腺嘌呤核苷的区域发散性N6与乙烯基芳基化，顺序二芳基化，荧光性质和计算评价。

IF 3.9 2区化学

Chemistry - A European Journal Pub Date : 2025-07-03 DOI: 10.1002/chem.202501477

Hari K Akula, Goutam Ghosh, Alexander Greer, Padmanava Pradhan, Mahesh K Lakshman

{"title":"Pd-Catalyzed Regiodivergent N6 Versus Cvinyl Arylation of 8-Vinyl Adenine Nucleosides, Sequential Diarylation, Fluorescence Properties, and Computational Evaluations.","authors":"Hari K Akula, Goutam Ghosh, Alexander Greer, Padmanava Pradhan, Mahesh K Lakshman","doi":"10.1002/chem.202501477","DOIUrl":"https://doi.org/10.1002/chem.202501477","url":null,"abstract":"Palladium-catalyzed aryl amination and Heck arylation reactions are complementary tranformations, generally requiring a suitable catalyst combination and a base. With substrates containing both an amino group and a vinyl moiety, control of C-N versus C-C reactivity can lead to regiodivergent functionalizations. With this focus, reactions of silyl-protected 8-vinyl adenosine and 2'-deoxyadenosine with aryl bromides and iodides have been studied. Pd(OAc)2, Pd2(dba)3, and preformed dichloro[1,1'-bis(di-t-butylphosphino)ferrocene]palladium (II) (Pd-118) were evaluated as metal sources. Ligands tested were Xantphos, DPEphos, BIPHEP, and DPPF, with Cs2CO3 and K3PO4 as bases. In toluene as solvent, the Pd(OAc)2/Xantphos/Cs2CO3 combination was uniquely capable of predominant N6 arylation. Aryl bromides and iodides gave comparable product yields. Replacement of Cs2CO3 with K3PO4 redirected arylation from nitrogen atom to the vinyl carbon atom, and all other catalyst, ligand, and base combinations gave Cvinyl arylation as well. Simply switching from Pd(OAc)2 to Pd2(dba)3 resulted in loss of the N6-selectivity and Cvinyl arylation was favored. Based upon these results, using two structurally similar catalytic systems sequential Cvinyl and N6 arylations of the nucleosides were accomplished. Some of the products were converted to other novel nucleoside analogues. Because some compounds were fluorescent, their photophysical properties were assessed experimentally and computationally.","PeriodicalId":144,"journal":{"name":"Chemistry - A European Journal","volume":" ","pages":"e202501477"},"PeriodicalIF":3.9,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144558615","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

Expanding the Scope of BICAAC Organocatalyst: Hydroboration of Carbonyl and Alkyne Substrates. 扩大BICAAC有机催化剂的范围：羰基和炔基底物的硼氢化。

IF 3.9 2区化学

Chemistry - A European Journal Pub Date : 2025-07-03 DOI: 10.1002/chem.202501880

Alisha Sharma, Surbhi Bansal, Archana Velloth, Sugumar Venkataramani, Sanjay Singh

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Cover Feature: Directional Macrocycle Transport, Release, and Recapture Enabled by a Rotaxane Transporter 覆盖功能：定向大环运输，释放，并重新捕获由轮烷运输启用

IF 3.9 2区化学

Chemistry - A European Journal Pub Date : 2025-07-02 DOI: 10.1002/chem.202583702

Sohom Kundu, Shubhadip Mallick, Jan Riebe, Jochen Niemeyer

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Chemical Fuel-Driven Networked Catalytic Machinery. 化学燃料驱动的网络化催化机械。

IF 3.9 2区化学

Chemistry - A European Journal Pub Date : 2025-07-02 DOI: 10.1002/chem.202501714

Amit Ghosh, Sohom Kundu, Michael Schmittel

引用次数: 0