Applied Catalysis A: General最新文献

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Synergistic effect of π-π and p-π conjugation of a commercial amine for enhanced photocatalytic CO2 cycloaddition reaction
IF 4.7 2区 化学
Applied Catalysis A: General Pub Date : 2025-03-28 DOI: 10.1016/j.apcata.2025.120249
Yi Zhou, Wenfeng Zhao
{"title":"Synergistic effect of π-π and p-π conjugation of a commercial amine for enhanced photocatalytic CO2 cycloaddition reaction","authors":"Yi Zhou,&nbsp;Wenfeng Zhao","doi":"10.1016/j.apcata.2025.120249","DOIUrl":"10.1016/j.apcata.2025.120249","url":null,"abstract":"<div><div>Designing a low-cost and efficient photocatalytic system to produce high-valuable carbonates from the cycloaddition of CO<sub>2</sub> by using clean and renewable sunlight as the driving force shows great research potential. Here, a commercially available 4,4''-diamino-p-terphenyl (DT) was directly employed to promote the photocatalytic cycloaddition of CO<sub>2</sub> and various epoxides under visible light irradiation. As high as 95 % yield of target carbonate was obtained using blue LED (&gt;450 nm) as a light source for 6 h under solvent-free/atmospheric CO<sub>2</sub>/room temperature conditions. Even under irradiation of natural light, a good yield of 68 % carbonate can also be achieved under ambient conditions. Moreover, in situ EPR and a series of controlled experiments were conducted to investigate the plausible photocatalytic mechanism, demonstrating that amino-containing DT with both π-π and p-π conjugated structure provides abundant basic sites and photogenerated electrons/holes as active sites for CO<sub>2</sub> activation and ring opening of epoxides at the same time.</div></div>","PeriodicalId":243,"journal":{"name":"Applied Catalysis A: General","volume":"698 ","pages":"Article 120249"},"PeriodicalIF":4.7,"publicationDate":"2025-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143738053","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Hemoglobin catalyzed oxidative cyanation of tertiary amines in water
IF 4.7 2区 化学
Applied Catalysis A: General Pub Date : 2025-03-28 DOI: 10.1016/j.apcata.2025.120248
Wenning Song , Xiaoxuan Chen , Wenbo Kan , Yuming Piao , Chunyu Wang , Lei Wang , Fengxi Li , Peng Chen , Zhi Wang
{"title":"Hemoglobin catalyzed oxidative cyanation of tertiary amines in water","authors":"Wenning Song ,&nbsp;Xiaoxuan Chen ,&nbsp;Wenbo Kan ,&nbsp;Yuming Piao ,&nbsp;Chunyu Wang ,&nbsp;Lei Wang ,&nbsp;Fengxi Li ,&nbsp;Peng Chen ,&nbsp;Zhi Wang","doi":"10.1016/j.apcata.2025.120248","DOIUrl":"10.1016/j.apcata.2025.120248","url":null,"abstract":"<div><div>We reported the oxidative cyanation of tertiary amines catalyzed by hemoglobin derived from rabbit blood (HbRb). Using water as the solvent and tert-butyl hydroperoxide (TBHP) as the oxidant, with a loading of 0.06 % mmol HbRb and ethyl cyanoformate (ECF) as the cyanide source, the oxidative cyanation was successfully catalyzed, yielding corresponding products in excellent yields ranging from 71 % to 93 % at room temperature. This strategy demonstrates high efficiency, employs mild reaction conditions, utilizes a safe cyanide source, and exhibits a broad substrate scope, thereby highlighting its valuable potential in non-natural oxidative reactions.</div></div>","PeriodicalId":243,"journal":{"name":"Applied Catalysis A: General","volume":"698 ","pages":"Article 120248"},"PeriodicalIF":4.7,"publicationDate":"2025-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143738052","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Advanced sulfonated porous organic polymer catalyst HSO3-POP-TB for dimerization of isopentene
IF 4.7 2区 化学
Applied Catalysis A: General Pub Date : 2025-03-24 DOI: 10.1016/j.apcata.2025.120236
Liujun Jin, Zhongfei Ren, Chengqiang Yang, Jiale Li, Yuhua Shan, Ping Liu
{"title":"Advanced sulfonated porous organic polymer catalyst HSO3-POP-TB for dimerization of isopentene","authors":"Liujun Jin,&nbsp;Zhongfei Ren,&nbsp;Chengqiang Yang,&nbsp;Jiale Li,&nbsp;Yuhua Shan,&nbsp;Ping Liu","doi":"10.1016/j.apcata.2025.120236","DOIUrl":"10.1016/j.apcata.2025.120236","url":null,"abstract":"<div><div>The oligomerization of light olefins, such as isopentene, is crucial for producing valuable products like industrial chemicals in the petrochemical industry; however, developing efficient and stable catalysts remains challenging. In this study, we synthesized a sulfonated porous organic polymer, HSO<sub>3</sub>-POP-TB, via Friedel-Crafts alkylation using 1, 3, 5-triphenylbenzene (TB) and 4, 4’-dichloromethylbiphenyl (BB), followed by chlorosulfonic acid (HSO<sub>3</sub>Cl) sulfonation. The strong acidity and unique micro-/mesoporous structure of HSO₃-POP-TB are key to achieving high isopentene conversion and excellent dimer selectivity. Optimized HSO<sub>3</sub>-POP-TB demonstrated exceptional catalytic performance, with an isopentene conversion rate of 81.7 % and 95.0 % selectivity for the dimer product at 70 °C, surpassing conventional solid acid catalysts. Additionally, HSO<sub>3</sub>-POP-TB exhibited remarkable thermal stability and acid resistance, maintaining high activity over five reaction cycles without significant efficiency loss. These results highlight the potential of HSO<sub>3</sub>-POP-TB as a promising catalyst for the efficient and sustainable conversion of light olefins into valuable chemicals, addressing economic and environmental concerns.</div></div>","PeriodicalId":243,"journal":{"name":"Applied Catalysis A: General","volume":"698 ","pages":"Article 120236"},"PeriodicalIF":4.7,"publicationDate":"2025-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143726241","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Selective production of levulinic acid from furfuryl alcohol over acid-modified zeolite catalysts
IF 4.7 2区 化学
Applied Catalysis A: General Pub Date : 2025-03-24 DOI: 10.1016/j.apcata.2025.120238
Laura Fuentes-Rodríguez, Adrien Le Corre, Yolanda Cesteros
{"title":"Selective production of levulinic acid from furfuryl alcohol over acid-modified zeolite catalysts","authors":"Laura Fuentes-Rodríguez,&nbsp;Adrien Le Corre,&nbsp;Yolanda Cesteros","doi":"10.1016/j.apcata.2025.120238","DOIUrl":"10.1016/j.apcata.2025.120238","url":null,"abstract":"<div><div>Commercial zeolites (Na-ZSM-5, NH<sub>4</sub>-βeta, and Na-mordenite) were protonated, and sulfonic-acid functionalized through microwave-assisted methods to be applied as acid catalysts for the selective production of levulinic acid from furfuryl alcohol using acetone-water mixture as greener solvent. Sulfonated zeolites enhanced levulinic acid formation due to their higher amount of more accessible BrØnsted acid sites. The different zeolite structure of the catalysts clearly affected the accessibility of the reagents to the acid sites, especially for the one-dimensional H-mordenite catalyst, which showed null selectivity to levulinic acid. Interestingly, this effect was in part overcome by the sulfonic-acid functionalization of mordenite increasing considerably its selectivity to levulinic acid up to 40 %. This means that sulfonation mainly occurred on the external zeolite surface. Sulfonated βeta catalyst showed the highest selectivity to levulinic acid (76 %) for a complete conversion while H-βeta had higher reuse stability since deactivating products adsorbed during reaction can be eliminated by calcination.</div></div>","PeriodicalId":243,"journal":{"name":"Applied Catalysis A: General","volume":"698 ","pages":"Article 120238"},"PeriodicalIF":4.7,"publicationDate":"2025-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143705231","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Ionic liquids-based ionic metal-organic frameworks (MOFs): A single catalyst with dual active centers for the cycloaddition of carbon dioxide 基于离子液体的离子金属有机框架 (MOF):用于二氧化碳环化反应的具有双活性中心的单一催化剂
IF 4.7 2区 化学
Applied Catalysis A: General Pub Date : 2025-03-24 DOI: 10.1016/j.apcata.2025.120237
Yunchang Fan , Huijie Shan , Yuanfeng Wu , Haibao Zhu
{"title":"Ionic liquids-based ionic metal-organic frameworks (MOFs): A single catalyst with dual active centers for the cycloaddition of carbon dioxide","authors":"Yunchang Fan ,&nbsp;Huijie Shan ,&nbsp;Yuanfeng Wu ,&nbsp;Haibao Zhu","doi":"10.1016/j.apcata.2025.120237","DOIUrl":"10.1016/j.apcata.2025.120237","url":null,"abstract":"<div><div>The conversion of CO<sub>2</sub> to cyclic carbonates is a promising approach for chemical fixation of CO<sub>2</sub> and the development of robust catalysts is still a big challenge. This work suggested ionic liquids (ILs)-based ionic metal-organic frameworks (MOFs) using a bisimidazole-based IL as organic link. The introduction of ILs made the ionic MOFs dual active center catalysts (ILs and metal ions). Experiments indicated that the catalytic activity of the ionic MOFs using indium ion (In<sup>3 +</sup>) as metal center was superior to that of those with zinc ion (Zn<sup>2+</sup>) as metal node due to the stronger electrophilicity of In<sup>3+</sup> than Zn<sup>2+</sup>, making In-based ionic MOFs more effectively activate the epoxide ring, which was verified by the results of theoretical calculations. Moreover, a high chloropropene carbonate yield (98.1 %) could be obtained without the addition of co-catalysts under the optimum conditions (0.1 MPa CO<sub>2</sub>, 5.4 % catalyst, 80 °C for 7 h).</div></div>","PeriodicalId":243,"journal":{"name":"Applied Catalysis A: General","volume":"698 ","pages":"Article 120237"},"PeriodicalIF":4.7,"publicationDate":"2025-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143705233","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Upgrading of PET to CHDM over base metal catalysts via tandem processes
IF 4.7 2区 化学
Applied Catalysis A: General Pub Date : 2025-03-23 DOI: 10.1016/j.apcata.2025.120233
Wanzhen Ren , Chuan Gang , Chen Zhao , Peng Wu , Xiaohong Li
{"title":"Upgrading of PET to CHDM over base metal catalysts via tandem processes","authors":"Wanzhen Ren ,&nbsp;Chuan Gang ,&nbsp;Chen Zhao ,&nbsp;Peng Wu ,&nbsp;Xiaohong Li","doi":"10.1016/j.apcata.2025.120233","DOIUrl":"10.1016/j.apcata.2025.120233","url":null,"abstract":"<div><div>1,4-cyclohexanedimethanol (CHDM), which has similar structural units to PET (polyethylene terephthalate), is a crucial polyester monomer. Therefore, PET can be directly oriented to synthesize CHDM through tandem alcoholysis and selective hydrogenation. However, use of precious metal catalysts such as Pd or Ru catalyst limits the industrial application. Herein, we developed a new process that converts PET into CHDM in mixed solvent of CH<sub>3</sub>OH-1,4-dioxane via tandem three-step reactions without the involvement of precious metal catalysts or any separation or purification, including the methanolysis of PET to obtain dimethyl terephthalate (DMT) first, then DMT was hydrogenated over a NiLa-40wt% catalyst to form the intermediate dimethyl 1,4-cyclohexanedicarboxylate (DMCD), followed by the further hydrogenolysis of DMCD to CHDM over a Cu<sub>1</sub>Fe<sub>1</sub>Al<sub>0.5</sub> catalyst to yield CHMD with an overall CHDM yield of .90.2 %. Importantly, the final product CHDM could be separated easily just by distillation because there is a significant difference in the boiling point of CHDM with the by-products.</div></div>","PeriodicalId":243,"journal":{"name":"Applied Catalysis A: General","volume":"698 ","pages":"Article 120233"},"PeriodicalIF":4.7,"publicationDate":"2025-03-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143714762","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Unravelling the support-dependent active structures and SO2-tolerance of supported Pt catalysts to remediate toxic CO contaminant: An experimental and theoretical perspective
IF 4.7 2区 化学
Applied Catalysis A: General Pub Date : 2025-03-23 DOI: 10.1016/j.apcata.2025.120235
Xinyu Liu , Chengxiong Wang , Feng Feng , Yinglong Wu , Shiying Chang , Guangxin Liu , Dong Tian , Weinan Yang , Xianming Cheng , Dongxia Yang , Kongzhai Li , Yunkun Zhao
{"title":"Unravelling the support-dependent active structures and SO2-tolerance of supported Pt catalysts to remediate toxic CO contaminant: An experimental and theoretical perspective","authors":"Xinyu Liu ,&nbsp;Chengxiong Wang ,&nbsp;Feng Feng ,&nbsp;Yinglong Wu ,&nbsp;Shiying Chang ,&nbsp;Guangxin Liu ,&nbsp;Dong Tian ,&nbsp;Weinan Yang ,&nbsp;Xianming Cheng ,&nbsp;Dongxia Yang ,&nbsp;Kongzhai Li ,&nbsp;Yunkun Zhao","doi":"10.1016/j.apcata.2025.120235","DOIUrl":"10.1016/j.apcata.2025.120235","url":null,"abstract":"<div><div>Catalyst deactivation caused by SO<sub>2</sub> poisoning generally hinders commercial viability of CO oxidation catalysts in the field of industrial flue gas purification. XPS results, CO-DRIFTS spectra and DFT calculations suggested that Pt was highly-dispersed and remained the oxidative states on SnO<sub>2</sub> support, resulting in that the rate-determining step of CO oxidation is to clean up the adsorbed CO and PtS<sub>2</sub> species is readily formed in a SO<sub>2</sub>-contained hydrothermal environment. It predominantly maintained metallic Pt<sup>0</sup> in the Pt/WO<sub>3</sub> catalyst, thereby led to cleaning up the activated oxygen atoms as the rate-determining step. It is very difficult to remove the sulfur species in SO<sub>2</sub>-poisoned catalysts within 600 °C and the mechanisms of CO oxidation are not affected by SO<sub>2</sub> poisoning for Pt/SnO<sub>2</sub> and Pt/WO<sub>3</sub> catalysts. These findings provide some significant insights to understand the mechanisms of CO oxidation and SO<sub>2</sub>-tolerance.</div></div>","PeriodicalId":243,"journal":{"name":"Applied Catalysis A: General","volume":"698 ","pages":"Article 120235"},"PeriodicalIF":4.7,"publicationDate":"2025-03-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143705044","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Efficient cobalt-catalyzed transfer hydrogenolysis of lignin-related compounds using formic acid
IF 4.7 2区 化学
Applied Catalysis A: General Pub Date : 2025-03-23 DOI: 10.1016/j.apcata.2025.120232
Fabian Alarcon-Kenell , Marco García-Corral , Fernando Revilla-Vilchis , Lázaro Huerta , Carmen Ortiz-Cervantes
{"title":"Efficient cobalt-catalyzed transfer hydrogenolysis of lignin-related compounds using formic acid","authors":"Fabian Alarcon-Kenell ,&nbsp;Marco García-Corral ,&nbsp;Fernando Revilla-Vilchis ,&nbsp;Lázaro Huerta ,&nbsp;Carmen Ortiz-Cervantes","doi":"10.1016/j.apcata.2025.120232","DOIUrl":"10.1016/j.apcata.2025.120232","url":null,"abstract":"<div><div>Cleaving the C–O bond is crucial for lignin valorization, a key biomass component. This study reports the synthesis and characterization of cobalt- and zinc-based catalysts, demonstrating high efficiency in the catalytic transfer hydrogenolysis of lignin-derived molecules using formic acid as the hydrogen source without the need for an added base like triethylamine. Depending on the thermal treatment, the materials exhibited different catalytic activities. For the material treated at 800 °C, cobalt nanoparticles were primarily observed, while at 1000 °C, no nanoparticles were detected; however, both catalysts were active in hydrogen production and in the hydrogenolysis of model molecules. We propose that cobalt species, ranging from nanometric to atomic scale, are responsible, with nitrogen-coordinated cobalt playing a critical role. The catalysts were also evaluated for their performance in the catalytic dehydrogenation of formic acid, a key step in hydrogen production. Findings indicate that carbon monoxide formation may contribute to the reduced activity observed in hydrogenolysis.</div></div>","PeriodicalId":243,"journal":{"name":"Applied Catalysis A: General","volume":"698 ","pages":"Article 120232"},"PeriodicalIF":4.7,"publicationDate":"2025-03-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143697102","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
One step erythritol hydrodeoxygenation towards green butadiene over mixed molybdenum-rhenium supported catalysts 在钼铼混合支撑催化剂上一步法赤藓糖醇加氢脱氧生成绿色丁二烯
IF 4.7 2区 化学
Applied Catalysis A: General Pub Date : 2025-03-23 DOI: 10.1016/j.apcata.2025.120234
G. Ioannidou , M. Drexler , U. Arnold , J. Sauer , A.A. Lemonidou
{"title":"One step erythritol hydrodeoxygenation towards green butadiene over mixed molybdenum-rhenium supported catalysts","authors":"G. Ioannidou ,&nbsp;M. Drexler ,&nbsp;U. Arnold ,&nbsp;J. Sauer ,&nbsp;A.A. Lemonidou","doi":"10.1016/j.apcata.2025.120234","DOIUrl":"10.1016/j.apcata.2025.120234","url":null,"abstract":"<div><div>This work explores the one-step catalytic process of erythritol hydrodeoxygenation (HDO) to 1,3-butadiene over supported Re and mixed Mo-Re oxides on carbon black. Catalyst screening under reducing H<sub>2</sub> atmosphere was performed in liquid phase under batch conditions. Mixed Mo-Re catalysts show the best HDO performance, as they are active towards C-O scission with mild hydrogenation activity, contributing to preservation of the C<img>C bond of 1,3-butadiene. The effect of reaction parameters was exploited over the promising 5Mo-10Re/CB catalyst. 3-butene-1,2-diol is the main intermediate to 1,3-butadiene formed at short reaction times while longer reaction times lead to butenes. Maximum 1,3-butadiene selectivity 93 % was achieved at 51 % erythritol conversion at 140 °C, 60 bar and 5 h reaction time. XPS measurements of fresh and used materials indicated that the upper surface layer consists of fully and partially reduced Mo and Re species, which according to CH<sub>3</sub>OH-TPSR host both redox and acid sites.</div></div>","PeriodicalId":243,"journal":{"name":"Applied Catalysis A: General","volume":"698 ","pages":"Article 120234"},"PeriodicalIF":4.7,"publicationDate":"2025-03-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143705232","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Highly-efficient ethylene tetramerization chromium(III) catalysts based on N-substituted diphosphinoamine (PNP) ligands
IF 4.7 2区 化学
Applied Catalysis A: General Pub Date : 2025-03-19 DOI: 10.1016/j.apcata.2025.120230
Huijuan Shao , Yu Zhang , Le Zhang , Xuzhi Zhang , Lirong Guo , Zeyu Wang , Yating Wang , Tao Jiang
{"title":"Highly-efficient ethylene tetramerization chromium(III) catalysts based on N-substituted diphosphinoamine (PNP) ligands","authors":"Huijuan Shao ,&nbsp;Yu Zhang ,&nbsp;Le Zhang ,&nbsp;Xuzhi Zhang ,&nbsp;Lirong Guo ,&nbsp;Zeyu Wang ,&nbsp;Yating Wang ,&nbsp;Tao Jiang","doi":"10.1016/j.apcata.2025.120230","DOIUrl":"10.1016/j.apcata.2025.120230","url":null,"abstract":"<div><div>The Cr(III) precatalysts based on novel N-substituted bis(diphenylphosphine)amine ligands (PNP-type <strong>L1-L8</strong>) have been confirmed to be successfully synthesized and used to test ethylene tri-/tetramerization properties. Precatalyst <strong>1</strong> with a sec-butyl moiety exhibites remarkable activity of 2257 kg∙g<sup>−1</sup>∙h<sup>−1</sup> with 61.3 % of 1-C<sub>8</sub><sup>=</sup>. Compared with precatalyst <strong>1</strong>, precatalyst <strong>2,</strong> with a larger steric hindrance of a sec-butylphenyl moiety at a N-atom, leading to a significant decrease in catalytic activity to 339 kg∙g<sup>−1</sup>∙h<sup>−1</sup>. Nevertheless, the selectivity for 1-C<sub>8</sub><sup>=</sup> increases to 67.9 %. It seems that increasing the spatial volume of the N-alkyl substituents make it more selective for 1-C<sub>8</sub><sup>=</sup> and lower catalytic activity. Single-crystal analysis shows that complexes <strong>9</strong> and <strong>10</strong> make from ligands <strong>1</strong> and <strong>2</strong> both adopt bidentate (k<sup>2</sup>-P, P) coordination mode. Simultaneously, the theoretical calculations also suggest that, for precatalyst <strong>1</strong>, <strong>Path 1</strong> toward tetramerization is thermodynamically more favorable than the other two pathways.</div></div>","PeriodicalId":243,"journal":{"name":"Applied Catalysis A: General","volume":"697 ","pages":"Article 120230"},"PeriodicalIF":4.7,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143680177","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
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