Journal of Catalysis最新文献

Enabling bimetallic cooperativity in tetrameric Ru(II) complexes for efficient and selective aerobic oxidative amidation of primary amines 使四聚体Ru（II）配合物中的双金属协同作用有效和选择性地进行伯胺的有氧氧化酰胺化

IF 7.3 1区化学

Journal of Catalysis Pub Date : 2026-10-01 DOI: 10.1016/j.jcat.2026.117230

Nimesh R. Chauhan,Priyanka V. Patat,Sakshi,Angshuman Roy Choudhury,Komal M. Vyas

引用次数: 0

From single atoms to nanoparticles: growing rhodium nanoparticles on MgO toward stable COx-free hydrogen production from ammonia 从单原子到纳米粒子：在氧化镁上生长铑纳米粒子，以稳定地从氨中产生无氧化酶的氢

IF 7.3 1区化学

Journal of Catalysis Pub Date : 2026-10-01 DOI: 10.1016/j.jcat.2026.117211

Ahmet Safa Aydogdu,Yasin Kalay,Büşra Sekizkardeş,Ugur Unal,Özge D. Bozkurt,Adam S. Hoffman,Jiyun Hong,Jorge E. Perez-Aguilar,Simon R. Bare,Samira F. Kurtoğlu-Öztulum,Alper Uzun

引用次数: 0

Structure–reactivity relationships in [Cp*Ru(MeCN)3][PF6]-catalyzed anti- and syn-selective hydrosilylation of internal alkynes and 1,3-diynes [Cp*Ru(MeCN)3][PF6]催化内炔和1,3-二炔反选择性和同选择性硅氢化反应的结构-反应关系

IF 7.3 1区化学

Journal of Catalysis Pub Date : 2026-10-01 DOI: 10.1016/j.jcat.2026.117229

Konrad Stęsik,Kinga Stefanowska,Jędrzej Walkowiak,Adrian Franczyk

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Simple donor functionalization in D-A type conjugated polymers for improved photocatalytic H2O2 production activity under visible light D-A型共轭聚合物的简单给体功能化提高可见光下光催化生产H2O2的活性

IF 6.5 1区化学

Journal of Catalysis Pub Date : 2026-04-01 Epub Date: 2026-02-09 DOI: 10.1016/j.jcat.2026.116756

Changzhi Han , Tianci Chen , Shibo Lv , Jingwen Pan , Sihui Xiang , Jia-Xing Jiang

{"title":"Simple donor functionalization in D-A type conjugated polymers for improved photocatalytic H2O2 production activity under visible light","authors":"Changzhi Han , Tianci Chen , Shibo Lv , Jingwen Pan , Sihui Xiang , Jia-Xing Jiang","doi":"10.1016/j.jcat.2026.116756","DOIUrl":"10.1016/j.jcat.2026.116756","url":null,"abstract":"<div><div>Anthraquinone (AQ) based organic conjugated polymers are promising photocatalysts for H<sub>2</sub>O<sub>2</sub> photosynthesis from O<sub>2</sub> and H<sub>2</sub>O, since the AQ unit with strong electron withdrawing ability can not only promote the charge separation but also act as redox active center to generate H<sub>2</sub>O<sub>2</sub> via oxygen reduction reaction (ORR). Herein, three novel donor–acceptor type organic polymers are reported to elucidate the influence of simple donor functionalization on charge dynamics and ORR activity. Compared to biphenyl donor without functionalized group, acetylene functionalized diphenylacetylene donor and diacetylene functionalized 1,4-diphenylbutadiyne donor show reduced twisted angles between adjacent benzene rings and increased coplanarity of polymer chains, which promotes the charge transfer and separation along the polymer chains. Besides, the presence of diacetylene group in donor extends the π conjugation and broadens the light absorption range of DPB-AQ. Benefiting from the donor–acceptor structure, broad absorption range of visible light, upgraded charge transfer and separation ability, DPB-AQ exhibits a higher photocatalytic H<sub>2</sub>O<sub>2</sub> yield of 7.8 mmol h<sup>−1</sup> g<sup>−1</sup> than BPH-AQ (1.0 mmol h<sup>−1</sup> g<sup>−1</sup>) and DPA-AQ (3.8 mmol h<sup>−1</sup> g<sup>−1</sup>) in pure water without additives. This work highlights the critical role of simple donor functionalization in polymers for H<sub>2</sub>O<sub>2</sub> photosynthesis from H<sub>2</sub>O and O<sub>2</sub>.</div></div>","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"456 ","pages":"Article 116756"},"PeriodicalIF":6.5,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146146013","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

Manganese-catalyzed transfer hydrogenation of indoles to indolines: reaction scope and mechanistic investigation 锰催化吲哚转移加氢制吲哚：反应范围及机理研究

IF 6.5 1区化学

Journal of Catalysis Pub Date : 2026-04-01 Epub Date: 2026-02-04 DOI: 10.1016/j.jcat.2026.116732

Ying Xu , Zihan Zhang , Yizhou Wang , Longfei Li , Ning Ma , Zheng Wang , Huiliang Li , Yanping Ma , Wen-Hua Sun

{"title":"Manganese-catalyzed transfer hydrogenation of indoles to indolines: reaction scope and mechanistic investigation","authors":"Ying Xu , Zihan Zhang , Yizhou Wang , Longfei Li , Ning Ma , Zheng Wang , Huiliang Li , Yanping Ma , Wen-Hua Sun","doi":"10.1016/j.jcat.2026.116732","DOIUrl":"10.1016/j.jcat.2026.116732","url":null,"abstract":"<div><div>A family of new ligands (<strong>L1</strong>–<strong>L8</strong>) and non-pincer-type PN-Mn(I) complex <strong>Mn1</strong> containing the imidazoline motif have been successfully employed for the transfer hydrogenation of N-unprotected indoles with H<sub>3</sub>NBH<sub>3</sub> (AB) as the hydrogen source, giving high efficiencies (TON up to 7200) and good compatibility with functional groups, which surpasses the activity of most effective noble metal catalysts for this reaction. The reaction kinetics investigations, control experiments, and DFT computations highlighted that the central amido/amino-based bifunctional activation step employed a concerted N–H and B-H activation reaction pathway, and the hydride/proton-transfer process is the rate-determining step. More importantly, a proposed catalytic cycle involves an outer-sphere pathway for the reduction of the isomerized C<img>N bond rather than the C<img>C bond in the indole. Furthermore, this catalytic protocol provides a convenient and efficient method for the synthesis of a wide variety of indolines (26 examples) and saturated N-heterocycles such as tetrahydroberberine (2 examples).</div></div>","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"456 ","pages":"Article 116732"},"PeriodicalIF":6.5,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146135421","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

Carbonylation catalysis of aryl halides through active-site engineering 活性位点工程催化芳基卤化物羰基化

IF 6.5 1区化学

Journal of Catalysis Pub Date : 2026-04-01 Epub Date: 2026-02-05 DOI: 10.1016/j.jcat.2026.116733

Arjun Neyyathala , Felix Jung , Claus Feldmann , Simon Barth , Jan-Dierk Grunwaldt , Ivana Jevtovikj , Stephan A. Schunk , Paolo Dolcet , Silvia Gross , Schirin Hanf

{"title":"Carbonylation catalysis of aryl halides through active-site engineering","authors":"Arjun Neyyathala , Felix Jung , Claus Feldmann , Simon Barth , Jan-Dierk Grunwaldt , Ivana Jevtovikj , Stephan A. Schunk , Paolo Dolcet , Silvia Gross , Schirin Hanf","doi":"10.1016/j.jcat.2026.116733","DOIUrl":"10.1016/j.jcat.2026.116733","url":null,"abstract":"<div><div>Crystalline palladium phosphide nanoparticles supported on silica (Pd<sub>3</sub>P/SiO<sub>2</sub>, 5 wt% Pd) are explored as catalysts for the alkoxycarbonylation of lignin-derived aromatic synthons, using model aryl halides as representative substrates. The detailed characterization by PXRD, HAADF-STEM, HRTEM, EDX, ICP-AES, XPS, CO-DRIFTS, and CO chemisorption confirmed the formation of the Pd<sub>3</sub>P phase with uniform nanoparticle size distribution. The catalytic performance was evaluated in a three-phase reaction system comprising a CO gas atmosphere, a liquid phase containing the solvent and substrate and a solid catalyst. The incorporation of phosphorus into the palladium lattice resulted in a more than two-fold enhancement in catalytic activity compared to conventional Pd-based heterogeneous catalysts. The Pd<sub>3</sub>P/SiO<sub>2</sub> catalyst also outperformed several reported heterogeneous and commonly used homogeneous catalysts. This enhanced reactivity is attributed to the electronic and geometric effects introduced by phosphorus, which generate highly active, spatially-isolated Pd sites. These findings demonstrate the potential of Pd–P phase engineering for the design of the next-generation of carbonylation catalysts.</div></div>","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"456 ","pages":"Article 116733"},"PeriodicalIF":6.5,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146135422","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

Copper-catalyzed boron radical-enabled 1,4-selective diboryldimerization of styrenes 铜催化硼自由基活化苯乙烯的1,4选择性二硼基二聚反应

IF 6.5 1区化学

Journal of Catalysis Pub Date : 2026-04-01 Epub Date: 2026-02-09 DOI: 10.1016/j.jcat.2026.116754

Zhihui Jia , Fengxiang Zhu , Xiao-Feng Wu

引用次数: 0

Cu-catalyzed regioselective borylative cyclization of silicon-bridged allenyl bromides: toward 4-silacyclohexenyl boronates 铜催化硅桥接烯基溴的区域选择性硼化环化：生成4-硅环己烯基硼酸盐

IF 6.5 1区化学

Journal of Catalysis Pub Date : 2026-04-01 Epub Date: 2026-02-03 DOI: 10.1016/j.jcat.2026.116727

Fei Ye , Xiao-Fang Wang , An-Jiu Wen , Chen-Li Jin, Wen-Hao Shi, Jian Cao, Zheng Xu, Li-Wen Xu

引用次数: 0

Unraveling the distinct catalytic features of methane activation in an iron-containing hemicryptophane cage FeO-TPA@Hm: insights from molecular cage architecture and electronic interactions 揭示含铁半氪烷笼中甲烷活化的独特催化特征FeO-TPA@Hm：来自分子笼结构和电子相互作用的见解

IF 6.5 1区化学

Journal of Catalysis Pub Date : 2026-04-01 Epub Date: 2026-02-02 DOI: 10.1016/j.jcat.2026.116731

Xin-Rui Mao, Chao-Yu Zhao, Yi-Zhou Gong, Ke-Xin Xing, Guang-Shan Zhu, Cai-Yun Geng

{"title":"Unraveling the distinct catalytic features of methane activation in an iron-containing hemicryptophane cage FeO-TPA@Hm: insights from molecular cage architecture and electronic interactions","authors":"Xin-Rui Mao, Chao-Yu Zhao, Yi-Zhou Gong, Ke-Xin Xing, Guang-Shan Zhu, Cai-Yun Geng","doi":"10.1016/j.jcat.2026.116731","DOIUrl":"10.1016/j.jcat.2026.116731","url":null,"abstract":"<div><div>In this study, we present a comprehensive investigation of the methane C–H activation catalyzed by an iron-containing hemicryptophane molecular cage FeO-TPA@Hm, combined with an in-depth exploration of the reaction mechanisms via electronic structure analysis, revealing distinctive features in both the reactivity and mechanism of this catalytic system. It was found that the modulation of the electronic states at the active center is achieved by the Hm molecular cage structure, breaking the conventional “inert framework + active center” paradigm and endowing the system with unprecedented activity and mechanisms. Furthermore, the hydrophobic microenvironment of the Hm cage further enhances the catalytic performance, providing a theoretical explanation for the exceptional catalytic behaviors observed experimentally. This study proposes a balanced catalyst design strategy that synergistically integrates moderate electronic effects with efficient hydrophobic enhancement, aiming to maximize both catalytic efficiency and selectivity in methane conversion processes. Overall, the findings offer significant theoretical insights and practical guidance for the development of methane activation catalysts, opening new avenues for research in catalytic chemistry and related fields.</div></div>","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"456 ","pages":"Article 116731"},"PeriodicalIF":6.5,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146098233","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

Modulating Cu electrode microenvironments with MOF coatings: insights from molecular dynamics and electrochemical experiments of CO reduction 用MOF涂层调制Cu电极微环境：来自分子动力学和CO还原电化学实验的见解

IF 6.5 1区化学

Journal of Catalysis Pub Date : 2026-04-01 Epub Date: 2026-01-30 DOI: 10.1016/j.jcat.2026.116723

Manish Maurya , Hannah Fejzić , Xavier C. Krull , Huy Nguyen , Matthew Neurock , Joseph T. Hupp , Chibueze V. Amanchukwu , Rachel B. Getman

{"title":"Modulating Cu electrode microenvironments with MOF coatings: insights from molecular dynamics and electrochemical experiments of CO reduction","authors":"Manish Maurya , Hannah Fejzić , Xavier C. Krull , Huy Nguyen , Matthew Neurock , Joseph T. Hupp , Chibueze V. Amanchukwu , Rachel B. Getman","doi":"10.1016/j.jcat.2026.116723","DOIUrl":"10.1016/j.jcat.2026.116723","url":null,"abstract":"<div><div>Metal-organic frameworks (MOFs) present a compelling strategy for tuning electrochemical interfaces by reshaping interfacial solvent structure. In this study, we examine how MOF coatings influence the microenvironment at copper electrodes during the CO electroreduction reaction (CORR) using a combined approach of molecular dynamics (MD) simulations and electrochemical experiments. Two MOFs, NU-901 and ZIF-8, are selected to explore the impact of pore size and channel hydrophobicity on electrochemical activity and interfacial concentration in acetonitrile (ACN) and dimethyl sulfoxide (DMSO) electrolytes. Electrochemical measurements reveal that MOF@Cu electrodes exhibit lower Faradaic efficiencies for CO hydrogenation products (ethylene and methane) compared to bare copper but have dramatic impacts on the interfacial microenvironment. NU-901, with its larger pores and strong interactions with DMSO, traps DMSO molecules and enhances CO coordination in DMSO but suppresses CORR selectivity in favor of the hydrogen evolution reaction (HER). ZIF-8, with smaller pores and hydrophobic channels, limits the interfacial water concentration, and, in ACN, promotes CO coordination. The simulations provide insights into how MOFs can act as physical modulators of reactant delivery and interfacial structure to control electrochemical microenvironments. This work highlights the value of molecular dynamics in uncovering how structural features of MOFs influence interfacial phenomena, even when catalytic performance is not directly improved.</div></div>","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"456 ","pages":"Article 116723"},"PeriodicalIF":6.5,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146089693","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