Journal of Catalysis最新文献

In-situ engineered mesoporous silica with high-loading ionic liquid for enhancing CO2 fixation into carbonates via cooperative effect of silanols and ionic moieties 原位工程高负载离子液体介孔二氧化硅，通过硅烷醇和离子部分的协同作用增强二氧化碳对碳酸盐的固定

IF 7.3 1区化学

Journal of Catalysis Pub Date : 2026-10-29 DOI: 10.1016/j.jcat.2026.117259

Xiaochen Wang, Shuyi Lu, Erbao Wei, Qingshan Yang, Miao Hu, Anqiu Liu, Daming Gao, Wei Yang, Junsheng Liu, Zhouyang Long, Yu Zhou, Jun Wang

{"title":"In-situ engineered mesoporous silica with high-loading ionic liquid for enhancing CO2 fixation into carbonates via cooperative effect of silanols and ionic moieties","authors":"Xiaochen Wang, Shuyi Lu, Erbao Wei, Qingshan Yang, Miao Hu, Anqiu Liu, Daming Gao, Wei Yang, Junsheng Liu, Zhouyang Long, Yu Zhou, Jun Wang","doi":"10.1016/j.jcat.2026.117259","DOIUrl":"https://doi.org/10.1016/j.jcat.2026.117259","url":null,"abstract":"In this work, a series<ce:hsp sp=\"0.25\"></ce:hsp>of mesoporous silica-supported ionic liquids (SSILs) were rationally fabricated through a two-step route, consisting of a quaternization reaction between 1-methylimidazole and silicon tetrachloride, followed by controlled hydrolysis and condensation. Significantly, imidazolium-based ILs were in situ embedded into the silica framework <ce:italic>via</ce:italic> Si-N linkages without alkyl spacers. The resulting SSILs featured high surface areas up to 617 m<ce:sup loc=\"post\">2</ce:sup> g<ce:sup loc=\"post\">−1</ce:sup>, tunable IL loadings (1.07–4.35 mmol g<ce:sup loc=\"post\">−1</ce:sup>) and tailored spatial arrangement of IL moieties, which functioned as efficient and recyclable metal-free heterogeneous catalysts for solvent-additive-free cycloaddition of CO<ce:inf loc=\"post\">2</ce:inf> at 90 °C and 1 MPa, in particular affording a high yield of 96.6% from epichlorohydrin within 0.5 h. Moreover, various epoxides including sterically hindered substrates could be effectively converted with high yields even under atmospheric-pressure CO<ce:inf loc=\"post\">2</ce:inf>. Detailed kinetic studies demonstrated varied catalytic performance of SSILs with distinct immobilization configurations. Complementary density functional theory calculations provided mechanistic support for catalytic cooperativity between silanol groups and IL active species. This work highlights a promising strategy for developing advanced SSILs through the synergistic integration of abundant porosity, high IL loading, and favorable spatial arrangements of active sites towards efficient CO<ce:inf loc=\"post\">2</ce:inf> utilization.","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"8 1","pages":""},"PeriodicalIF":7.3,"publicationDate":"2026-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149358933","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

SnOx-modulated Ni nanoparticles with tailored electronic microenvironment for efficient hydrogenative rearrangement of furfural to cyclopentanone snox调制的镍纳米颗粒具有定制的电子微环境，用于糠醛到环戊酮的有效氢化重排

IF 7.3 1区化学

Journal of Catalysis Pub Date : 2026-10-28 DOI: 10.1016/j.jcat.2026.117258

Jiaxing Zhang, Qi Jiang, Yongwang Li, Zheng Wang, Wanli Wang, Bingxin Zhu, Xingtao Wang, Kaiwei Wang, Yihao Wang, Yan Chen, Tianlei Wang, Xubin Zhang, Fumin Wang

{"title":"SnOx-modulated Ni nanoparticles with tailored electronic microenvironment for efficient hydrogenative rearrangement of furfural to cyclopentanone","authors":"Jiaxing Zhang, Qi Jiang, Yongwang Li, Zheng Wang, Wanli Wang, Bingxin Zhu, Xingtao Wang, Kaiwei Wang, Yihao Wang, Yan Chen, Tianlei Wang, Xubin Zhang, Fumin Wang","doi":"10.1016/j.jcat.2026.117258","DOIUrl":"https://doi.org/10.1016/j.jcat.2026.117258","url":null,"abstract":"The highly efficient and directionally selective hydrogenation-rearrangement of the biomass platform molecule furfural (FF) to high-value-added cyclopentanone (CPO) represents a core pathway for biomass upgrading and utilization. However, constructing highly active and selective non-noble metal catalysts that precisely suppress over-hydrogenation remains elusive. In this work, we report a SnO<ce:inf loc=\"post\">x</ce:inf> cluster-modified Ni-based catalyst (10Ni/Sn-Y-30) supported on Y-type zeolite. According to the characterization and density functional theory (DFT) calculations, surface SnO<ce:inf loc=\"post\">x</ce:inf> clusters act as robust anchoring sites for metallic Ni, thereby significantly boosting the dispersion of Ni nanoclusters. Furthermore, the directional electron transfer from Ni to SnO<ce:inf loc=\"post\">x</ce:inf> creates electron-deficient Ni<ce:sup loc=\"post\">δ+</ce:sup> centers, which lowers the reduction energy barrier and optimizes the substrate adsorption configuration. The superiority of this regulation strategy is further corroborated by kinetic tests, attesting to its effective modulation of the rates of the primary and competing reactions. In an aqueous reaction system at 150 °C, the optimized<ce:hsp sp=\"0.25\"></ce:hsp>10Ni/Sn-Y-30 catalyst delivers exceptional catalytic activity, yielding a peak CPO yield of 95.3%. This study provides a novel design strategy for the precise structural modulation of low-cost, non-noble metal catalysts and the directional upgrading of biomass resources.","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"17 1","pages":""},"PeriodicalIF":7.3,"publicationDate":"2026-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149292323","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

Corrigendum to “Machine learning accelerated interfacial fluxionality in Ni-supported metal nitride ammonia synthesis catalysts” [J. Catal. 450 (2025) 116224] “机器学习加速ni负载金属氮氨合成催化剂的界面流动性”的勘误[J]。Catal. 450 (2025) 116224]

IF 7.3 1区化学

Journal of Catalysis Pub Date : 2026-10-24 DOI: 10.1016/j.jcat.2026.117238

Pranav Roy, Brandon C. Bukowski

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

引用次数: 0

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