Journal of Catalysis最新文献_第3页

Cobalt-catalyzed aminocarbonylation of alkyl iodides 钴催化的碘化烷基氨基羰基化反应

IF 6.5 1区化学

Journal of Catalysis Pub Date : 2025-09-27 DOI: 10.1016/j.jcat.2025.116456

Guang Xu , Zhi-Peng Bao , Xiao-Feng Wu

引用次数: 0

Palladium-catalyzed carbonylative four-component synthesis of β-perfluoroalkyl amides with alkenylsilanes as the ethylene source 以烯基硅烷为乙烯源钯催化羰基化四组分合成β-全氟烷基酰胺

IF 6.5 1区化学

Journal of Catalysis Pub Date : 2025-09-26 DOI: 10.1016/j.jcat.2025.116450

Yong-Wang Huo, Xiao-Feng Wu

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Corrigendum to “Rational design of selective catalysts for ethylene hydroformylation via microkinetic modeling and universal neural network potentials” [J. Catal. 450 (2025) 116253] “基于微动力学模型和通用神经网络电位的乙烯氢甲酰化选择性催化剂的合理设计”[J]。法令。450 (2025)116253]

IF 7.3 1区化学

Journal of Catalysis Pub Date : 2025-09-26 DOI: 10.1016/j.jcat.2025.116392

Kento Sakai, Ippei Furikado, Andrew J. Medford

引用次数: 0

An effective way to produce fatty alcohol through coupling fatty acid with CO2 hydrogenation over CuZnZrOx/C-N catalyst CuZnZrOx/C-N催化剂催化脂肪酸与CO2加氢偶联制备脂肪醇的有效方法

IF 6.5 1区化学

Journal of Catalysis Pub Date : 2025-09-25 DOI: 10.1016/j.jcat.2025.116455

Xuemei Liao , Xiaoli Wei , Yunye Wang , Huanqi Gou , Yingchun Yang , Xiaoxiao Luo , Shuang Wang , Xiaopeng Li , Jun Ni , Cuong Pham-Huu

{"title":"An effective way to produce fatty alcohol through coupling fatty acid with CO2 hydrogenation over CuZnZrOx/C-N catalyst","authors":"Xuemei Liao , Xiaoli Wei , Yunye Wang , Huanqi Gou , Yingchun Yang , Xiaoxiao Luo , Shuang Wang , Xiaopeng Li , Jun Ni , Cuong Pham-Huu","doi":"10.1016/j.jcat.2025.116455","DOIUrl":"10.1016/j.jcat.2025.116455","url":null,"abstract":"<div><div>The hydrogenation of fatty acids to fatty alcohols, alongside the hydrogenation of CO2 to methanol, represents crucial pathways for addressing the depletion of fossil resources and achieving carbon neutrality. However, the catalytic conversion rates of these two reactions remain low under mild conditions. In this study, we discovered an innovative approach that couples stearic acid (C17COOH) hydrogenation with CO2 hydrogenation in a one-pot catalytic tandem process using the optimized CuZn2ZrOx/C-N catalyst. This method significantly enhances the yields of methanol and fatty alcohol under mild reaction conditions of 200 °C, 3 MPa, 6 h, with a H2:CO2 ratio of 3:1. The reaction mechanism revealed that stearic acid methyl ester (C17COOCH3) acts as a key intermediate in the coupling process. Specifically, the in situ methanol produced from CO2 hydrogenation is converted by C17COOH into C17COOCH3, which is then hydrogenated to form stearic alcohol. This coupling reaction offers important insights for the simultaneous utilization of CO2 and biomass-derived fatty acids in producing value-added chemicals. Furthermore, our findings could inspire the design of more synergistically coupled catalytic reactions that leverage dual-promotional effects for the hydrogenation of CO2 and carboxylic acid compounds. This approach not only enhances the efficiency of these transformations but also aligns with the broader goals of sustainability and resource efficiency in chemical processes.</div></div>","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"452 ","pages":"Article 116455"},"PeriodicalIF":6.5,"publicationDate":"2025-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145140593","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

pH-induced octamolybdate-based metal–organic complexes with different coordinated metal centers for catalytic epoxidation reaction of alkenes ph诱导不同配位金属中心的八胺酸基金属有机配合物催化烯烃环氧化反应

IF 6.5 1区化学

Journal of Catalysis Pub Date : 2025-09-24 DOI: 10.1016/j.jcat.2025.116444

Jia Ma , Xiao-Hui Li , Na Xu, Zhong Zhang, Chang Sun, Xiu-Li Wang

{"title":"pH-induced octamolybdate-based metal–organic complexes with different coordinated metal centers for catalytic epoxidation reaction of alkenes","authors":"Jia Ma , Xiao-Hui Li , Na Xu, Zhong Zhang, Chang Sun, Xiu-Li Wang","doi":"10.1016/j.jcat.2025.116444","DOIUrl":"10.1016/j.jcat.2025.116444","url":null,"abstract":"<div><div>The epoxidation of olefins is considered an essential reaction in chemistry, petrochemistry, and materials science. Developing highly efficient heterogeneous catalysts for the epoxidation reaction of olefins is of great significance. In this work, Co2+ was selected as the central metal to assemble with ammonium molybdate and a N,N’-bis(4-pyrimidinecarboxaido)-1,4-butane (bpyb) ligand under hydrothermal conditions, and two new polyoxometalate (POM)-based cobalt complexes, [Co(bpyb)(β-Mo8O26)0.5(H2O)]·H2O (Co-POMOC-1) and [Co(bpyb)(β-Mo8O26)0.5(H2O)]·2H2O (Co-POMOC-2) were synthesized by adjusting the pH of the solutions, which were characterized by single crystal X-ray diffraction, XPS, PXRD and IR. Two Co-POMOCs exhibited different coordination modes of Co(II) atoms, endowing them with different accessibilities of Co(II) sites and different catalytic activities. Co-POMOC-1 exhibits excellent heterogenous catalytic activity in the epoxidation reaction of olefins, achieving 99 % yield and 100 % selectivity of 1,2-epoxycyclooctane under O2 atmosphere at 55°C within 22 min. Furthermore, a new [Zn(bpyb)(β-Mo8O26)0.5(H2O)]·H2O (Zn-POMOC), which is isomorphous to Co-POMOC-1, was synthesized to explore the catalytic mechanism by comparison. The synergistic catalysis and catalysis mechanism of Co(II) and {β-Mo8} sites in Co-POMOCs for the olefin epoxidation reaction were investigated systematically.</div></div>","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"452 ","pages":"Article 116444"},"PeriodicalIF":6.5,"publicationDate":"2025-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145127985","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

Regulation of M4/Nb2O5 catalysts toward directed product selectivity in guaiacol hydrodeoxygenation 愈创木酚加氢脱氧过程中M4/Nb2O5催化剂对产物定向选择性的调控

IF 6.5 1区化学

Journal of Catalysis Pub Date : 2025-09-24 DOI: 10.1016/j.jcat.2025.116454

Si Wang , Yawen Shi , Zhaowei Tian , Hu Ding , Yuan Deng , Shilong Zhang , Lei Wang , Haisong Feng , Xin Zhang

{"title":"Regulation of M4/Nb2O5 catalysts toward directed product selectivity in guaiacol hydrodeoxygenation","authors":"Si Wang , Yawen Shi , Zhaowei Tian , Hu Ding , Yuan Deng , Shilong Zhang , Lei Wang , Haisong Feng , Xin Zhang","doi":"10.1016/j.jcat.2025.116454","DOIUrl":"10.1016/j.jcat.2025.116454","url":null,"abstract":"<div><div>Guaiacol hydrodeoxygenation (HDO), a key reaction in lignin valorization, enables the production of high-octane, low-oxygen compounds such as benzene and cyclohexane. However, precise control over product selectivity remains a main challenge due to the complex reaction network. In this work, density functional theory (DFT) calculations were employed to investigate the mechanism and product selectivity of guaiacol HDO over five metal clusters supported on Nb2O5 (M4/Nb2O5, M = Ru, Rh, Pd, Ir, Pt). The results show that Ru4 and Pt4 clusters preferentially stabilize the adsorption of aromatic rings, thereby facilitating ring hydrogenation to form cyclohexanol. In contrast, Rh4/Nb2O5 and Pd4/Nb2O5 promote selective C–O bond cleavage with limited ring hydrogenation, favoring the formation of benzene. Notably, Ir4/Nb2O5 enables complete ring hydrogenation and C–OH bond cleavage, resulting in the formation of cyclohexane as the main product. Experimental results confirmed that Pd/Nb2O5 and Ir/Nb2O5 catalyze the conversion of guaiacol to fully deoxygenated products (benzene and cyclohexane), with a conversion rate of 70 %. The correlation study has confirmed that the electronegativity of metal clusters strongly affects the activity and selectivity of the reaction through the synergistic effect between the metal and the support. These findings elucidate the structure–activity–selectivity relationships underlying HDO performance and offer valuable insights for the rational design of selective deoxygenation catalysts targeting lignin-derived compounds.</div></div>","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"453 ","pages":"Article 116454"},"PeriodicalIF":6.5,"publicationDate":"2025-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145134303","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

The Suzuki–Miyaura coupling of aryl chlorides with arylboronic acids catalysed by NHC platinum complexes NHC铂配合物催化芳氯化物与芳硼酸的Suzuki-Miyaura偶联

IF 7.3 1区化学

Journal of Catalysis Pub Date : 2025-09-23 DOI: 10.1016/j.jcat.2025.116452

Anna Smoczyńska, Sylwia Ostrowska, Anna Chojnacka, Steven P. Nolan, Cezary Pietraszuk

引用次数: 0

Ir-enabled reductive hydroamination of alkynes with nitroarenes 炔与硝基芳烃的红外还原氢胺化反应

IF 6.5 1区化学

Journal of Catalysis Pub Date : 2025-09-23 DOI: 10.1016/j.jcat.2025.116453

Chengxiu Liu , Jiaxin Liang , Zhejun Ni , Jianhua Liao , Renshi Luo , Lu Ouyang

引用次数: 0

Divergent catalysis: elucidation of ligand-controlled chemo-divergent Pd-catalyzed intramolecular allene-silacyclobutane reactions 发散催化：阐明配体控制的化学发散pd催化的分子内烯-硅环丁烷反应

IF 6.5 1区化学

Journal of Catalysis Pub Date : 2025-09-22 DOI: 10.1016/j.jcat.2025.116449

Sui-Fang Peng , Jia-Wei Si , Fei Ye , Li Li , Shuang-Li Liu , Zheng Xu , Fuk-Yee Kwong , Li-Wen Xu

{"title":"Divergent catalysis: elucidation of ligand-controlled chemo-divergent Pd-catalyzed intramolecular allene-silacyclobutane reactions","authors":"Sui-Fang Peng , Jia-Wei Si , Fei Ye , Li Li , Shuang-Li Liu , Zheng Xu , Fuk-Yee Kwong , Li-Wen Xu","doi":"10.1016/j.jcat.2025.116449","DOIUrl":"10.1016/j.jcat.2025.116449","url":null,"abstract":"<div><div>In this work, building upon our previous discovery that structurally distinct phosphine ligands can effectively modulate palladium-catalyzed intramolecular allene-silacyclobutane reactions to afford two different seven-membered silacyclic products, herein we further demonstrated that using DPPF as ligand leads to the formation of a novel polysubstituted silane compounds containing three distinct types of alkenyl groups. This finding significantly expands the scope of divergent catalysis using identical metal catalyst and substrate. Through combined experimental and computational studies, we have comprehensively elucidated the reaction mechanism, in which the reaction is initiated by silicon-carbon bond activation of the silacyclobutane moiety, followed by allene insertion to form a seven-membered palladacycle as the key intermediate. The subsequent reaction pathways diverge due to the ligand-dependent modulation of reductive elimination versus β-H elimination processes. Furthermore, the ring-open intermediates of silacyclobutane moiety can undergo additional divergent pathways through either reductive elimination or 1,3-migration shift of the palladium intermediate, resulting in three distinct types of products for this divergent catalysis-based transformation.</div></div>","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"452 ","pages":"Article 116449"},"PeriodicalIF":6.5,"publicationDate":"2025-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145117032","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

Elementary steps and bifunctional scavenging pathways in methylcyclohexane dehydrogenation reactions on dispersed Pt nanoparticles 分散Pt纳米颗粒上甲基环己烷脱氢反应的基本步骤和双功能清除途径

IF 6.5 1区化学

Journal of Catalysis Pub Date : 2025-09-22 DOI: 10.1016/j.jcat.2025.116451

Sai Chen , Zhongyao Zhang , Trenton Otto , Enrique Iglesia

{"title":"Elementary steps and bifunctional scavenging pathways in methylcyclohexane dehydrogenation reactions on dispersed Pt nanoparticles","authors":"Sai Chen , Zhongyao Zhang , Trenton Otto , Enrique Iglesia","doi":"10.1016/j.jcat.2025.116451","DOIUrl":"10.1016/j.jcat.2025.116451","url":null,"abstract":"<div><div>Dehydrogenation-hydrogenation cycles of methylcyclohexane (MCH) and toluene (TOL) provide a feasible strategy for hydrogen release and storage. This study describes the kinetic relevance of MCH dehydrogenation on Pt and addresses the support effect on turnover rates, which involves kinetically-competent Lewis acid-base (LAB) pairs on the supports (e.g., Al2O3, TiO2, and ZrO2) that affect the bound species on Pt surfaces with varying structures and reactivities. The less competent species in producing TOL on Pt surfaces are present at significant coverages and can desorb and are scavenged by LAB sites on the support, thus increasing the number and size of Pt surface atom ensembles for the more competent ones to form TOL. The support effect on MCH dehydrogenation turnover rates diminishes upon propionic acid titration, which occupies LAB sites irreversibly. H2-D2 exchange and CO titration experiments under simultaneous MCH dehydrogenation confirm the significant coverage of the less competent species derived from MCH on Pt surfaces. For all investigated Pt catalysts, MCH dehydrogenation turnover rates depend linearly on pressures of methylcyclohexene (MCHE) as detectable intermediates that are in equilibrium with MCH and H2, indicating that the kinetically-relevant step occurs after MCHE formation and involves C–H activation in bound MCHE-derived species on Pt surfaces that are sparsely covered by reactive intermediates. The implications and practical significance of this work are not restricted to the subject reaction, and can be extended to other bifunctional catalytic systems.</div></div>","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"452 ","pages":"Article 116451"},"PeriodicalIF":6.5,"publicationDate":"2025-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145116722","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