Journal of Catalysis最新文献

Efficiently robust transfer hydrogenation of nitriles to methylamines achieved by using manganese complexes 利用锰配合物实现了腈到甲胺的高效、稳健的转移加氢

IF 7.3 1区化学

Journal of Catalysis Pub Date : 2026-04-30 DOI: 10.1016/j.jcat.2026.116925

Quanming Lyu, Xiaoyan Qian, Yi Su, Yizhou Wang, Libin Li, Zheng Wang, Yanping Ma, Wen-Hua Sun

引用次数: 0

Mechanisms of cobalt-catalyzed asymmetric hydrogenation of multi-substituted α,β-unsaturated carboxylic acids 钴催化多取代α，β-不饱和羧酸的不对称加氢机理

IF 7.3 1区化学

Journal of Catalysis Pub Date : 2026-04-30 DOI: 10.1016/j.jcat.2026.116920

Xiaofan Shi, Qiong Peng, Taiming Bai, Zhihua Wang, Yanhui Tang, Ming Lei

{"title":"Mechanisms of cobalt-catalyzed asymmetric hydrogenation of multi-substituted α,β-unsaturated carboxylic acids","authors":"Xiaofan Shi, Qiong Peng, Taiming Bai, Zhihua Wang, Yanhui Tang, Ming Lei","doi":"10.1016/j.jcat.2026.116920","DOIUrl":"https://doi.org/10.1016/j.jcat.2026.116920","url":null,"abstract":"Herein the reaction mechanisms and the origin of enantioselectivity of the Co-catalyzed asymmetric hydrogenation (AH) of multi-substituted <em>α,β</em>-unsaturated carboxylic acids involving Co(0)/Co(II) catalytic redox cycle and Co(II)/Co(II) non-redox one were investigated using density functional theory (DFT) method. For the AH reaction adopting Co(0)/Co(II) redox cycle by (<em>R</em>,<em>R</em>)-(<sup>Ph</sup>BPE)Co(0)(COD) system, it is revealed that the oxidative hydride transfer step is more favorable than the step-wise process including the oxidative addition step and the migratory insertion step in the hydrogenation process. The isomerization between Λ- and Δ-conformers along reaction pathway was proposed, interestingly, the AH pathway by Λ catalytic conformer is dominant to achieve <em>R</em>-product while that by Δ catalytic conformer is dominant to achieve <em>S</em>-product for tetra-substituted substrate. Unlike conventional models in which stereoselectivity is determined by a single step, the calculated results indicate that both the oxidative hydride transfer step and reductive elimination one cooperatively control the enantioselectivity of this reaction. Similarly, for that adopting Co(II)/Co(II) non-redox cycle by (<em>R</em>,<em>R</em>)-(<sup>Ph</sup>BPE)Co(II)-stearate system, the enantioselectivity is found to be cooperatively determined by the migratory insertion step and the σ‑bond metathesis one. In addition, the reversed enantioselectivity between tetra‑ and di-substituted substrates originates from steric bulk. Importantly, the Co(II)-monohydride species got involved instead of the Co(II)-dihydride species in either the Co(0)/Co(II) redox cycle or the Co(II)/Co(II) non‑redox cycle. This work not only agrees well with experimental observation, but also provides theoretical insights into the Co-catalyzed AH and establishes a valuable foundation for the development of efficient earth‑abundant metal catalysts","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"9 1","pages":""},"PeriodicalIF":7.3,"publicationDate":"2026-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147756146","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

Traceless imidate-directed oxidative decarboxylative arylation of electron-deficient aromatic rings enabled by Pd–Ag bimetallic catalysis 钯银双金属催化使缺电子芳环无迹的直接氧化脱羧芳基化

IF 7.3 1区化学

Journal of Catalysis Pub Date : 2026-04-29 DOI: 10.1016/j.jcat.2026.116936

Rajesh Nandi, Kamalendu Pandey, Subhendu Bhowmik

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

Hydroxyl-facilitated efficient propane dehydrogenation over bare Ga2O3 via altering reaction pathway 通过改变反应路径，羟基促进裸Ga2O3上丙烷的高效脱氢

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.2026.116743

Salman Khan , Enxi Wu , Yi Dai , Kaijie Wang , Lixia Bao , Zhen Wang , Tong Wang , Qi Liu , Yaoyuan Zhang , Qin Wu , Daxin Shi , Kangcheng Chen , Guiyuan Jiang , Hansheng Li

{"title":"Hydroxyl-facilitated efficient propane dehydrogenation over bare Ga2O3 via altering reaction pathway","authors":"Salman Khan , Enxi Wu , Yi Dai , Kaijie Wang , Lixia Bao , Zhen Wang , Tong Wang , Qi Liu , Yaoyuan Zhang , Qin Wu , Daxin Shi , Kangcheng Chen , Guiyuan Jiang , Hansheng Li","doi":"10.1016/j.jcat.2026.116743","DOIUrl":"10.1016/j.jcat.2026.116743","url":null,"abstract":"<div><div>Designing suitable catalysts for catalytic processes involving alkanes and efficiently activating C−H bond in light alkanes are both theoretically and practically significant. The present study shows that bare Ga<sub>2</sub>O<sub>3</sub> without any supported species or dopants can effectively catalyze the PDH reaction. A clear structure–activity relationship based on crystallite size, acid density, and hydroxyl group density is established, the smaller the crystallite size, the higher the activity. Ga<sub>2</sub>O<sub>3</sub> with a smaller crystallite size owns a higher concentration of hydroxyl species and oxygen vacancies. Comprehensive experimental investigations and DFT calculations indicate that the presence of oxygen vacancy in Ga<sub>2</sub>O<sub>3</sub> decreases the apparent activation energy of PDH compared with the pristine Ga<sub>2</sub>O<sub>3</sub> surface. Importantly, the existence of hydroxyl groups on the Ga<sub>2</sub>O<sub>3</sub> surface can significantly improve the ability to activate C−H bond by altering the PDH reaction from a non-oxidative to the oxidative pathway at the initial stage. It is expected that these findings offer fundamental insights into regulating the physicochemical properties of metal oxides for efficient C−H bond activation and hydrogenation reactions.</div></div>","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"456 ","pages":"Article 116743"},"PeriodicalIF":6.5,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146110690","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