Progress in Reaction Kinetics and Mechanism最新文献_第8页

A Study on the Kinetics and Mechanism of the One-Pot Formation of 3,4,5-Substituted Furan-2(5H)-Ones in the Presence of Lactic Acid: Effect of Different Substituents 乳酸存在下一锅生成3,4,5-取代呋喃-2(5H)- 1的动力学及机理研究:不同取代基的影响

IF 0.7 4区化学

Progress in Reaction Kinetics and Mechanism Pub Date : 2018-10-01 DOI: 10.3184/146867818X15319903829218

Osman Asheri, S. Habibi‐Khorassani, M. Shahraki

{"title":"A Study on the Kinetics and Mechanism of the One-Pot Formation of 3,4,5-Substituted Furan-2(5H)-Ones in the Presence of Lactic Acid: Effect of Different Substituents","authors":"Osman Asheri, S. Habibi‐Khorassani, M. Shahraki","doi":"10.3184/146867818X15319903829218","DOIUrl":"https://doi.org/10.3184/146867818X15319903829218","url":null,"abstract":"The kinetics of the reaction between para-substituted anilines and dimethyl acetylenedicarboxylate (DMAD) with derivatives of benzaldehyde for the one-pot formation of 3,4,5-substituted furan-2(5H)-ones in the presence of lactic acid as a catalyst have been studied spectrophotometrically at different temperatures. A mechanism involving four steps was proposed for the reactions, all of which followed second-order kinetics. The partial orders with respect to substituted aniline and DMAD were one and one and the reactions revealed zero-order kinetics for benzaldehyde and its derivatives. Changing of substituents on benzaldehyde left rates of reaction unaffected. However, various substituents on aniline showed that para electron-withdrawing groups decreased the rate of reaction. According to investigation of an isokinetic relationship, a common mechanism exists for all studied substituents and a general mechanism can be formulated. Kinetic values (k and Ea) and associated activation parameters (ΔG‡, ΔS‡ and ΔH‡) of the reactions were determined.","PeriodicalId":20859,"journal":{"name":"Progress in Reaction Kinetics and Mechanism","volume":"48 1","pages":"286 - 299"},"PeriodicalIF":0.7,"publicationDate":"2018-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86854019","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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: 3

Nanopowder-Supported Ultra-Low Content Co–Rh Bimetallic Catalysts for Hydroformylation of Monoformyltricyclodecenes to Value-Added Fine Chemicals 纳米粉体负载的超低含量Co-Rh双金属催化剂用于单甲酰三环癸烯氢甲酰化制备高附加值精细化学品

IF 0.7 4区化学

Progress in Reaction Kinetics and Mechanism Pub Date : 2018-10-01 DOI: 10.3184/146867818X15319903829173

Chengyang Li, Libo Zhang, Yubo Ma, Tianfu Wang

{"title":"Nanopowder-Supported Ultra-Low Content Co–Rh Bimetallic Catalysts for Hydroformylation of Monoformyltricyclodecenes to Value-Added Fine Chemicals","authors":"Chengyang Li, Libo Zhang, Yubo Ma, Tianfu Wang","doi":"10.3184/146867818X15319903829173","DOIUrl":"https://doi.org/10.3184/146867818X15319903829173","url":null,"abstract":"The hydroformylation of monoformyltricyclodecenes (MFTD) to diformyltricyclodecanes (DFTD) was studied systematically. A series of 0.006 wt% Rh–0.006 wt% Co catalysts supported on commercially available nanopowders such as Al2O3, ZnO, TiO2 and CeO2 was prepared by the incipient wetness method and used to catalyse the hydroformylation of MFTD to DFTD. The 0.006 wt% Rh–0.006 wt% Co/ZnO catalyst showed the highest catalytic performance among the catalysts investigated, thus 41.8% DFTD yield with 100% DFTD selectivity could be achieved. This suggested that there may be a key role of the carrier on the catalytic performance in MFTD hydroformylation. Furthermore, the kinetic profiles for MFTD hydroformylation over the 0.006 wt% Rh–0.030 wt% Co/ZnO catalyst have been examined systematically to explore the effect of reaction temperature on the catalytic performance. These results collectively suggested that a particular reaction temperature might benefit MFTD hydroformylation. There may be some agglomeration of the active sites at higher reaction temperatures.","PeriodicalId":20859,"journal":{"name":"Progress in Reaction Kinetics and Mechanism","volume":"52 1","pages":"254 - 261"},"PeriodicalIF":0.7,"publicationDate":"2018-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88967977","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Mechanistic Aspects of Ligand Substitution on the Cis-Diaqua-Chloro-Tris(Dimethyl Sulfoxide)Ruthenium(II) Complex by Some Sulfur-Containing Bioactive Ligands in Aqueous Medium 一些含硫生物活性配体在水介质中取代顺式-二水-氯-三(二甲基亚砜)钌(II)配合物的机理

IF 0.7 4区化学

Progress in Reaction Kinetics and Mechanism Pub Date : 2018-10-01 DOI: 10.3184/146867818X15319903829191

Animesh Chattopadhyay, A. Dey, P. Karmakar, S. Ray, D. Nandi, Roshni Sarkar(Sain), A. K. Ghosh

引用次数: 0

Reactivity of β-Substituted Phosphoenol Pyruvates towards Alkoxides: A Theoretical and Experimental Study β-取代磷酸烯醇丙酮酸酯对烷氧化物的反应性:理论和实验研究

IF 0.7 4区化学

Progress in Reaction Kinetics and Mechanism Pub Date : 2018-10-01 DOI: 10.3184/146867818X15161889114466

Djilali Bassou, A. Ghomri, A. Atmani

引用次数: 0

A Density Functional Theory Study of NH3 and NO Adsorption on the β-MnO2 (110) Surface β-MnO2(110)表面NH3和NO吸附的密度泛函理论研究

IF 0.7 4区化学

Progress in Reaction Kinetics and Mechanism Pub Date : 2018-10-01 DOI: 10.3184/146867818X15233705894428

Hao Meng, Xuanwei Wu, Chao Ci, Qian Zhang, Zhe Li

{"title":"A Density Functional Theory Study of NH3 and NO Adsorption on the β-MnO2 (110) Surface","authors":"Hao Meng, Xuanwei Wu, Chao Ci, Qian Zhang, Zhe Li","doi":"10.3184/146867818X15233705894428","DOIUrl":"https://doi.org/10.3184/146867818X15233705894428","url":null,"abstract":"The adsorption of NH3 and NO on the β-MnO2 (1 1 0) surface has been investigated by density functional theory using periodic models. The energetically favourable sites of adsorption of the gases on the β-MnO2 surface are 4-fold coordinate Mn (Mn4-top) and 5-fold coordinate Mn (Mn5-top). The relative adsorption energies (Eads) of these gases on the Mn4-top site and Mn5-top site are in the orders NH3 (Eads = −1.02 eV) > NO (Eads = −0.96 eV) and NH3 (Eads = −0.63 eV) > NO (Eads = −0.49 eV). The N-H and N–O bond lengths, Mulliken charges and the densities of states of the NH3 and NO molecules are discussed after adsorption. The calculated results indicate that the coordination number of surface Mn ions has a significant influence on the adsorption capacity. Furthermore, the analysis of the results of the density of states determinations shows that when NH3 and NO are adsorbed with the NH3-Mn and NO-Mn configurations, the bonding mechanism is mainly from the interaction between the NH3 or NO molecule and the Mn d orbital, which is the major reason for the strong chemical adsorption of NH3 and NO.","PeriodicalId":20859,"journal":{"name":"Progress in Reaction Kinetics and Mechanism","volume":"28 1","pages":"219 - 228"},"PeriodicalIF":0.7,"publicationDate":"2018-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81306526","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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: 6

Adsorption of P-Nitrophenol Onto Partially Reduced Graphene Oxide: An Experimental and Theoretical Study 部分还原氧化石墨烯吸附对硝基苯酚的实验与理论研究

IF 0.7 4区化学

Progress in Reaction Kinetics and Mechanism Pub Date : 2018-06-01 DOI: 10.3184/146867818X15233705894374

Mengzhi Yang, Meiling Wang

引用次数: 2

Quantifying Enhancement of Metal-Supported Zeolites Due to Hydrogen Spillover 氢溢出对金属负载沸石增强的量化研究

IF 0.7 4区化学

Progress in Reaction Kinetics and Mechanism Pub Date : 2018-06-01 DOI: 10.3184/146867818X15233705894347

Shrivanand M. Pai, B. L. Newalkar, P. Parikh

引用次数: 0

Fabricating Nano-Sized BiVO4/InVO4/g-C3N4 Photocatalysts for Efficient Degradation of Acid Blue 92 Azo Dye 纳米BiVO4/InVO4/g-C3N4光催化剂高效降解酸性蓝92偶氮染料的制备

IF 0.7 4区化学

Progress in Reaction Kinetics and Mechanism Pub Date : 2018-06-01 DOI: 10.3184/146867818X15161889114493

M. Tasviri, Samin Bargozideh

引用次数: 5

Investigation of Reaction Mechanisms and Kinetics of the Radical Scavenging Ability of 5-Tert-Butylbenzene-1,2,3-Triol and 3,5-di-Tert-Butylbenzene-1,2-Diol Compounds Towards OOH Radical 5-叔丁基苯-1,2,3-三醇和3,5-二叔丁基苯-1,2-二醇对OOH自由基清除能力的反应机理和动力学研究

IF 0.7 4区化学

Progress in Reaction Kinetics and Mechanism Pub Date : 2018-06-01 DOI: 10.3184/146867818X15161889114484

Anes El-Hadj Saïd, S. Mekelleche

{"title":"Investigation of Reaction Mechanisms and Kinetics of the Radical Scavenging Ability of 5-Tert-Butylbenzene-1,2,3-Triol and 3,5-di-Tert-Butylbenzene-1,2-Diol Compounds Towards OOH Radical","authors":"Anes El-Hadj Saïd, S. Mekelleche","doi":"10.3184/146867818X15161889114484","DOIUrl":"https://doi.org/10.3184/146867818X15161889114484","url":null,"abstract":"The antioxidant properties of the synthesised 5-tert-butylbenzene-1,2,3-triol (system A) and the designed 3,5-di-tert-butylbenzene-1,2-diol (system B) have been explored through density functional theory at the M05-2X/6-31+G(d,p) level of theory. The quantum mechanics-based test for overall free radical scavenging activity (QM- ORSA) protocol has been employed to account for their radical-scavenging capacity against the hydroperoxyl radical (HOO•) in the gas phase and in toluene solvent as a mimic lipid medium. The different mechanisms of the chemical reactions of the studied systems with HOO• have been considered, namely (i) the hydrogen atom transfer (HAT), (ii) the single electron transfer followed by proton transfer and (iii) the radical adduct formation. Our calculations provide evidence that HAT is the most favoured reaction mechanism in both the gas phase and in lipid media and the calculated thermodynamic and kinetic parameters indicate that the designed compound is more efficient than the synthesised system A and the reference system (α-tocopherol).","PeriodicalId":20859,"journal":{"name":"Progress in Reaction Kinetics and Mechanism","volume":"1 1","pages":"101 - 111"},"PeriodicalIF":0.7,"publicationDate":"2018-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82946246","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

SiO2-Supported Co–Rh Bimetallic Catalysts for Dicyclopentadiene Hydroformylation: Relationships Between Catalytic Performance and Structure of the Catalysts 二环戊二烯氢甲酰化的二氧化硅负载Co-Rh双金属催化剂:催化剂性能与结构的关系

IF 0.7 4区化学

Progress in Reaction Kinetics and Mechanism Pub Date : 2018-06-01 DOI: 10.3184/146867818X15161889114475

Libo Zhang, Chengyang Li, Yubo Ma, Tianfu Wang

{"title":"SiO2-Supported Co–Rh Bimetallic Catalysts for Dicyclopentadiene Hydroformylation: Relationships Between Catalytic Performance and Structure of the Catalysts","authors":"Libo Zhang, Chengyang Li, Yubo Ma, Tianfu Wang","doi":"10.3184/146867818X15161889114475","DOIUrl":"https://doi.org/10.3184/146867818X15161889114475","url":null,"abstract":"In this work, SiO2-supported Co–Rh bimetallic catalysts were prepared by adopting a method of impregnation and were used to catalyse the hydroformylation of dicyclopentadiene (DCPD) to diformyltricyclodecanes. Firstly, the hydroformylation of DCPD was carried out and three reaction stages were observed. In the first stage, a sharp decrease of reaction pressure was observed within 4 minutes. In the next stage, almost no reaction pressure decrease was detected over a relatively longer reaction time (70 minutes). In the final stage, the reaction pressure decreased at a relatively gentle rate, with barely any decrease of reaction pressure being observed at 460 minutes. Secondly, the hydroformylation of monoformyltricyclodecenes (MFTD) with various reaction times was carried out; the catalyst that was used at various reaction times was also recovered. Finally, the catalyst that had been used at various reaction times was characterised and analysed and the relationship between the catalytic performance and the structure of the catalysts was confirmed. In addition, combined with triphenylphosphine, the influence of pressure on the activity of Co–Rh bimetallic catalysts was investigated for the hydroformylation of MFTD.","PeriodicalId":20859,"journal":{"name":"Progress in Reaction Kinetics and Mechanism","volume":"5 1","pages":"136 - 143"},"PeriodicalIF":0.7,"publicationDate":"2018-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87048686","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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: 3