Journal of Catalysis最新文献

{"title":"Ru-catalyzed N-alkylation via a balanced dispersion-driven transition-state stabilization","authors":"Zeng Hong, Jiawen Zheng, Bowei Yuan, Chao Qian, Shaodong Zhou","doi":"10.1016/j.jcat.2026.117163","DOIUrl":"https://doi.org/10.1016/j.jcat.2026.117163","url":null,"abstract":"We report a Ru-catalyzed N-alkylation of amines with alcohols via a balanced dispersion‑driven transition-state stabilization strategy. Unlike conventional approaches that simply maximize noncovalent interactions, our design emphasizes an optimal trade-off between dispersive stabilization of the transition state and the geometric distortion penalty of the substrates. Guided by DFT calculations, the isopropyl-substituted Ru-bis(NHC) complex Ru<ce:inf loc=\"post\">2</ce:inf> was identified as the optimal catalyst, affording the desired products in 68–99% yields with good functional-group tolerance. Mechanistic studies reveal that Ru<ce:inf loc=\"post\">2</ce:inf> facilitates hydrogenation through weak C–H/π interactions in an inner‑sphere pathway. The balanced nature of this stabilization—where moderate dispersion interactions are achieved without excessive substrate deformation—accounts for the superior catalytic performance, particularly for sterically demanding substrates. This work establishes the concept of balanced dispersion-driven stabilization as a new design guideline for borrowing-hydrogen catalysis.","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"369 1","pages":""},"PeriodicalIF":7.3,"publicationDate":"2026-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148885293","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}

{"title":"Surface segregation regulates adsorbate and lattice-oxygen pathways in Co/Ni-doped rutile RuO2 for oxygen evolution","authors":"Cao Wang,Liang Cao","doi":"10.1016/j.jcat.2026.117169","DOIUrl":"https://doi.org/10.1016/j.jcat.2026.117169","url":null,"abstract":"","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"9 1","pages":"117169"},"PeriodicalIF":7.3,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148895733","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}

{"title":"Palladium-catalyzed regioselective triborylation of unactivated alkenes","authors":"Jiacheng Rui,Yao Zhao,Xuyong Tan,Ling Zhang,Rizhi Chen,Xiaojin Wu","doi":"10.1016/j.jcat.2026.117168","DOIUrl":"https://doi.org/10.1016/j.jcat.2026.117168","url":null,"abstract":"","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"29 1","pages":"117168"},"PeriodicalIF":7.3,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148895734","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}

{"title":"Two-step electrodeposition of a magnesium secondary support for Cu-mesh CO-oxidation catalysts","authors":"Yingying Cai,Haoyuan Gu,Qi Liu,Jing Xu,Minghui Zhu","doi":"10.1016/j.jcat.2026.117166","DOIUrl":"https://doi.org/10.1016/j.jcat.2026.117166","url":null,"abstract":"","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"56 1","pages":"117166"},"PeriodicalIF":7.3,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148895738","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}

{"title":"Efficient glucose deuteration over N-enriched carbon flower-supported ruthenium under mild conditions","authors":"Wei Huang,Fangjun Shao,Zhanpeng Xu,Shaokang Zheng,Xu Zhang,Lintao Rui,Guanglu Dong,Zihao Yao,Jianguo Wang","doi":"10.1016/j.jcat.2026.117165","DOIUrl":"https://doi.org/10.1016/j.jcat.2026.117165","url":null,"abstract":"","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"138 1","pages":"117165"},"PeriodicalIF":7.3,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148895736","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}

{"title":"The reductive cyclization of o-Nitrobiphenyls and o-Nitrostyrenes to N-Heterocycles by carbon monoxide, catalyzed by Palladium/Phenanthroline Complexes: an experimental and theoretical mechanistic study","authors":"Manar Ahmed Fouad, Doaa R. Ramadan, Francesco Ferretti, Artur Brotons Rufes, Simona Russo, Piero Macchi, Chiara Costabile, Fabio Ragaini","doi":"10.1016/j.jcat.2026.117164","DOIUrl":"https://doi.org/10.1016/j.jcat.2026.117164","url":null,"abstract":"Competitive and trapping experiments demonstrated that the reductive cyclization of <ce:italic>o</ce:italic>-nitrobiphenyl to carbazole using CO as the reductant and a palladium/phenanthroline catalyst proceeds through the formation of free <ce:italic>o</ce:italic>-nitrosobiphenyl. A kinetic study of its cyclization reaction to <ce:italic>N</ce:italic>-hydroxycarbazole indicated that the reaction does not require a metal catalyst, but is accelerated by bases, as also observed in the catalytic reaction starting from the nitro compound. Theoretical calculations provided details on the mechanism, including the involvement of DMF (solvent), when no additional base is added. The cyclization reaction is similar in the case of the synthesis of indoles from <ce:italic>o</ce:italic>-nitrostyrenes, but the two reactions show different sensitivities to air. This was attributed to different rate-determining steps, involving a Pd(II) complex as the resting state for the synthesis of carbazoles and a Pd(0) one for that of indoles. A palladacyclic complex was isolated from a reaction of <ce:italic>o</ce:italic>-nitrobiphenyl under conditions close to those employed in the catalytic reaction and shown to afford carbazole when reacted with pressurized CO. For the synthesis of indoles, a Pd(0) olefin complex, Pd(Phen)(η<ce:inf loc=\"post\">2</ce:inf>-(E)-3-(5-fluoro-2-nitrophenyl)-1-phenylprop-2-en-1-one), was isolated directly from a catalytic reaction and characterized by single crystal XRD. An analogous complex, Pd(Phen)(η<ce:inf loc=\"post\">2</ce:inf>-methyl (<ce:italic>E</ce:italic>)-2-nitrocinnamate), was also independently synthesized and structurally characterized, affording 2-carboxymethyl-indole when treated with CO. Some previously reported pieces of evidence apparently in favor of the involvement of metal-imido species as intermediates in cyclization reactions of nitroarenes when CO is employed as a reductant were dismissed. In particular, a compound previously identified as an aziridine was proven to be an allylic amine, whose formation does not require a metal-imido intermediate. Overall, the results strongly indicate that the cyclization occurs outside the metal coordination sphere at the nitrosoarene stage, excluding the involvement of imido (nitrene) complexes.","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"9 1","pages":""},"PeriodicalIF":7.3,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148884846","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}

{"title":"Metal-Regulated rare 3D Octamolybdate-Based Metal-Organic complexes with viologen ligand for Boosting efficient NIR-Driven oxidative desulfurization","authors":"Ying Sun, Xin Xin Zhang, Xiu-Li Wang, Zhong Zhang","doi":"10.1016/j.jcat.2026.117160","DOIUrl":"https://doi.org/10.1016/j.jcat.2026.117160","url":null,"abstract":"Given the environmental challenges, the design and synthesis of efficient catalysts are crucial for realizing the potential of photocatalytic oxidative desulfurization. In this study, three new polyoxometalate (POM)-based metal–organic complexes (POMOCs) with different central metals and octamolybdate, {[M(Bpyen)(Mo<ce:inf loc=\"post\">8</ce:inf>O<ce:inf loc=\"post\">27</ce:inf>)(H<ce:inf loc=\"post\">2</ce:inf>O)<ce:inf loc=\"post\">2</ce:inf>]}·[M(H<ce:inf loc=\"post\">2</ce:inf>O)<ce:inf loc=\"post\">6</ce:inf>]·xH<ce:inf loc=\"post\">2</ce:inf>O (<ce:bold>1</ce:bold>, M = Zn (x = 6), <ce:bold>2</ce:bold>, Ni (x = 4), <ce:bold>3</ce:bold>, Co (x = 6), Bpyen·2Br = (1,2-bis(4,4′-bipyridinium)ethane·2Br)) were synthesized from electron-deficient viologen ligand Bpyen and characterized by single-crystal X-ray diffraction. Complexes <ce:bold>1</ce:bold>–<ce:bold>3</ce:bold> represent the first Bpyen-based POMOCs that achieve a structural transition from previously reported 0D to a 3D framework, featuring rare single-oxygen-shared 1D {Mo<ce:inf loc=\"post\">8</ce:inf>O<ce:inf loc=\"post\">27</ce:inf>}<ce:inf loc=\"post\">n</ce:inf> chains. The photocatalytic oxidation of methyl phenyl sulfide (MPS) and 2-chloroethyl ethyl sulfide (CEES) was examined under multi-wavelength irradiation. The results clearly show that the choice of central metal governs catalytic performance. The cobalt-containing complex <ce:bold>3</ce:bold> consistently outperformed the other complexes, particularly in catalyzing the selective oxidation of various sulfides under near-infrared (NIR) irradiation. Specifically, with complex <ce:bold>3</ce:bold>, both MPS and CEES reached 99 % conversion and 99 % selectivity within 40 and 15 min, respectively. Even for the more challenging substrate diphenyl sulfide, it reached 87 % conversion with 99 % selectivity within 80 min. Photoelectrochemical characterizations and charge density difference (CDD) analyses confirm that cobalt central metal significantly improved charge separation and electron transport, giving rise to this marked activity enhancement. Complex <ce:bold>3</ce:bold> also remained high catalytic activity and structural stability over five consecutive cycles. In addition, the catalytic mechanism was investigated and confirmed by electron paramagnetic resonance (EPR) spectroscopy and Raman spectroscopy.","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"53 1","pages":""},"PeriodicalIF":7.3,"publicationDate":"2026-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148884882","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}

{"title":"d-p orbital hybridization constructs Fe-S-Cu hole transport pathway in hematite photoanode for enhanced water oxidation","authors":"Xianghui Zeng, Zhao Zhou, Lei Zhao, Wei Fang, Yong Zhang, Guanshun Xie, Qingxiu Li, Haijun Zhang, Hui Chen","doi":"10.1016/j.jcat.2026.117159","DOIUrl":"https://doi.org/10.1016/j.jcat.2026.117159","url":null,"abstract":"Hematite (α-Fe<ce:inf loc=\"post\">2</ce:inf>O<ce:inf loc=\"post\">3</ce:inf>) is a promising photoanode for photoelectrocatalytic water splitting, yet its performance is constrained by an ultrashort hole diffusion length and sluggish oxygen evolution reaction (OER) kinetics. Here, we report a Ti:Fe<ce:inf loc=\"post\">2</ce:inf>O<ce:inf loc=\"post\">3</ce:inf>/CuSCN/ESLH triple-layer photoanode that integrates a CuSCN hole transport layer (HTL) with an entropy-stable layered hydroxide (ESLH) cocatalyst to address these sequential charge loss processes. Theoretical calculations reveal unprecedented d-p orbital hybridization at the Ti:Fe<ce:inf loc=\"post\">2</ce:inf>O<ce:inf loc=\"post\">3</ce:inf>/CuSCN interface, and COHP analysis combined with EXAFS confirms the formation of stable Fe-S-Cu covalent bonds. This atomic-scale bridging configuration establishes a direct hole transport pathway from the Fe-O antibonding to the Fe-S-Cu bonding orbitals, fundamentally differing from conventional band-alignment-driven extraction. Experimental characterizations demonstrate that the CuSCN layer preferentially enhances the bulk charge separation efficiency (η<ce:inf loc=\"post\">sep</ce:inf>) by facilitating hole extraction, while the ESLH cocatalyst improves the surface charge injection efficiency (η<ce:inf loc=\"post\">inj</ce:inf>) by accelerating OER kinetics. The composite photoanode achieves a photocurrent density of 4.04 mA cm⁻<ce:sup loc=\"post\">2</ce:sup> at 1.23 V vs. RHE and an oxygen evolution rate of 921.74 μL cm⁻<ce:sup loc=\"post\">2</ce:sup>h⁻<ce:sup loc=\"post\">1</ce:sup> under AM 1.5G illumination. This work provides a new strategy for photoanode design via orbital hybridization and interfacial engineering.","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"26 1","pages":""},"PeriodicalIF":7.3,"publicationDate":"2026-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148884884","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}

{"title":"Content continued","authors":"","doi":"10.1016/j.jcat.2026.117157","DOIUrl":"https://doi.org/10.1016/j.jcat.2026.117157","url":null,"abstract":"","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"43 1","pages":""},"PeriodicalIF":7.3,"publicationDate":"2026-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148884883","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}

{"title":"Tailoring the microenvironment of PdFe nanoclusters on CNTs in solution by plasma and amino modification to boost formic acid dehydrogenation and hexavalent chromium reduction","authors":"Xiaonan Du, Fei Gao, Jingsen Zhang, Hong Li, Guangyi Meng, Yue Hua, Lanbo Di","doi":"10.1016/j.jcat.2026.117161","DOIUrl":"https://doi.org/10.1016/j.jcat.2026.117161","url":null,"abstract":"A simple and controllable surface dielectric barrier discharge (DBD) plasma method was successfully developed and adopted to synthesize highly-dispersed PdFe nanoclusters supported on amino-functionalized carbon nanotubes (CNTs) in solution. By incorporating iron, modifying the CNTs with amino groups, and using the wet plasma preparation method, the microenvironment of the PdFe nanoclusters was tailored, and the PdFe/NH<ce:inf loc=\"post\">2</ce:inf>-CNTs-P catalyst demonstrates outstanding performance, achieving an initial turnover frequency (TOF) of 18879 h<ce:sup loc=\"post\">−1</ce:sup> for formic acid dehydrogenation at 333 K and a Cr(VI) reduction rate constant of 0.43 min<ce:sup loc=\"post\">−1</ce:sup> at room temperature. Its performance surpasses those of most reported state-of-the-art heterogeneous Pd catalysts. The PdFe/NH<ce:inf loc=\"post\">2</ce:inf>-CNTs-P possesses abundant –NH<ce:inf loc=\"post\">2</ce:inf> groups and oxygen-containing functional groups (OCGs) on the CNTs, highly dispersed, electron-rich ultrafine PdFe nanoclusters, and strong metal-support interaction, thus enabling it to exhibit excellent catalytic activity and stability. This work provides a simple, fast, and green wet plasma synthesis strategy for preparing high-performance and low-cost Pd-based catalysts by tailoring the microenvironment of PdFe nanoclusters.","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":"35 1","pages":""},"PeriodicalIF":7.3,"publicationDate":"2026-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148885289","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}