Canadian Journal of Chemistry最新文献_第9页

Award Lecture Paper: Nickel-Catalyzed N-Arylation of Optically Pure Amino Acid Esters with Activated (Hetero)aryl Electrophiles 获奖演讲论文:镍催化光学纯氨基酸酯与活化的(杂)芳基亲电试剂的n -芳基化

IF 1.1 4区化学

Canadian Journal of Chemistry Pub Date : 2023-02-02 DOI: 10.1139/cjc-2022-0290

Travis Lundrigan, Joseph P. Tassone, M. Stradiotto

引用次数: 0

Note of appreciation 感谢信

4区化学

Canadian Journal of Chemistry Pub Date : 2023-02-01 DOI: 10.1139/cjc-2023-0007

引用次数: 0

Thermal and electrical transport conductivities of novel ordered double two-dimensional MXenes via density functional theory 基于密度泛函理论的新型有序双二维MXenes的热导率和电导率

IF 1.1 4区化学

Canadian Journal of Chemistry Pub Date : 2023-01-19 DOI: 10.1139/cjc-2022-0070

Ekwevugbe Omugbe, O. Osafile, O. Nenuwe, E. Enaibe, E. E. Elemike

{"title":"Thermal and electrical transport conductivities of novel ordered double two-dimensional MXenes via density functional theory","authors":"Ekwevugbe Omugbe, O. Osafile, O. Nenuwe, E. Enaibe, E. E. Elemike","doi":"10.1139/cjc-2022-0070","DOIUrl":"https://doi.org/10.1139/cjc-2022-0070","url":null,"abstract":"In this paper, we examined the effects of transition metal replacement and ordering in 2D M3C2O2 MXene on the electronic structure, thermal and electrical conductivities using the density functional theory and also the Boltzmann transport theory within the constant relaxation time approximation. We derived the following oxygen functionalized ordered double metal MXenes Ti2YC2O2, Y2TiC2O2 Sc2YC2O2, and Y2ScC2O2 through the surface and sub-layer tuning. The results revealed that the ordered MXenes give rise to different electronic structure and transport properties. The electronic thermal conductivities obtained in terms of the relaxation time increase with increase in absolute temperature, while the electrical conductivities decrease with increase in temperature. The respective transport properties of Y2TiC2O2 and Sc2YC2O2were found to be enhanced due to the increased squared band velocity, density of state and low Seebeck coefficient compared to Ti2YC2O2 and Y2ScC2O2 MXenes. Generally, the MXene materials investigated in this work were found to possess metallic properties with the existence of energy overlap around the Fermi level. The computed formation energies support chemical stability in all the materials.","PeriodicalId":9420,"journal":{"name":"Canadian Journal of Chemistry","volume":"12 1","pages":""},"PeriodicalIF":1.1,"publicationDate":"2023-01-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77805423","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: 1

Synthesis and thermal stability of a novel polyfunctional pyridine-based derivative featuring amino, nitro, and guanidine groups 一种新型氨基、硝基和胍基多官能团吡啶衍生物的合成和热稳定性

IF 1.1 4区化学

Canadian Journal of Chemistry Pub Date : 2023-01-17 DOI: 10.1139/cjc-2022-0057

Xu-Qing Liu, Lina Hao, Renfa Zhang, Congming Ma, P. Ma

引用次数: 1

A flexible, high-efficiency, and low-cost FeS2@CTS hydrogel film for solar interface water evaporation 一种灵活、高效、低成本的太阳能界面水蒸发水凝胶膜FeS2@CTS

IF 1.1 4区化学

Canadian Journal of Chemistry Pub Date : 2023-01-17 DOI: 10.1139/cjc-2022-0174

Yunsong Xu, Yanran Gu, Zhongping Yao, Songtao Lu, Xiaohong Wu, Zhaohua Jiang

{"title":"A flexible, high-efficiency, and low-cost FeS2@CTS hydrogel film for solar interface water evaporation","authors":"Yunsong Xu, Yanran Gu, Zhongping Yao, Songtao Lu, Xiaohong Wu, Zhaohua Jiang","doi":"10.1139/cjc-2022-0174","DOIUrl":"https://doi.org/10.1139/cjc-2022-0174","url":null,"abstract":"Solar interfacial water evaporation to obtain pure water has attracted extensive attention in recent years. In this work, based on the excellent optical property of FeS2 and the cross-linking nanostructure of chitosan (CTS), a FeS2@CTS hydrogel composite film for solar interfacial water evaporation was developed by hydrothermal synthesis and the following composite coating technology. The prepared FeS2@CTS presented high solar absorptivity of 95.27% and fast optical response capability. Under the optimized condition, the evaporation rate of pure water reached 3.34 kg m−2 h−1 and the photothermal conversion efficiency was 103.06% under one sun irradiation. In five runs, the evaporation rate of the FeS2@CTS was stable, indicating the excellent cycle stability. Also, in the desalination test, the stable evaporation rate of 1.74 kg m−2 h−1 was obtained in five runs. Due to the simple preparation method, low cost, and outstanding interfacial evaporation property, this FeS2@CTS indicates great potential for the seawater desalination or other photothermal conversion applications.","PeriodicalId":9420,"journal":{"name":"Canadian Journal of Chemistry","volume":"28 1","pages":""},"PeriodicalIF":1.1,"publicationDate":"2023-01-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81422696","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

Ultrasensitive Electrochemical Phosphate Detection by Pyridine-zinc(II) Complex 吡啶-锌(II)配合物超灵敏电化学检测磷酸盐

IF 1.1 4区化学

Canadian Journal of Chemistry Pub Date : 2023-01-13 DOI: 10.1139/cjc-2022-0212

Kailey Browne, Y. Pei, I. Singh, S. J. Payne, Zhe She

{"title":"Ultrasensitive Electrochemical Phosphate Detection by Pyridine-zinc(II) Complex","authors":"Kailey Browne, Y. Pei, I. Singh, S. J. Payne, Zhe She","doi":"10.1139/cjc-2022-0212","DOIUrl":"https://doi.org/10.1139/cjc-2022-0212","url":null,"abstract":"Phosphorous is an important environmental health parameter as the availability of phosphorus within water systems plays an essential role in the prevalence of harmful algal blooms (cyanobacteria blooms). Currently, phosphates are detected using sensitive chromatographic and colorimetric techniques; however, major disadvantages stem from the lack of anion selectivity in samples with complex matrices, as well as the high cost of analysis. Electrochemical techniques utilizing self-assembled monolayers can provide a cheaper yet sensitive method of detection. This work explores the modification of a gold working electrode using pyridine-zinc (II) complexes. The implementation of self-assembled monolayers allows for an ultrasensitive and selective method of indirect detection of the H2PO4- species, ranging in concentrations between 0.0 and 1.2. fM phosphate. Electrochemical techniques such as cyclic voltammetry (CV) and square-wave voltammetry (SWV) were explored for their phosphate detection abilities, with detection limits of 4.0 x 10-16 and 9.0 x 10-17 M H2PO4-, respectively. X-ray photoelectron spectroscopy (XPS) measurements were also taken to confirm the modification of the electrode. The selectivity of this sensor towards phosphate anions was successfully explored for this sensor in the presence of potential interfering agents (sulfate, chlorine, carbonate, fluoride, nitrite and hypochlorite ions), and applicability of sensor was also explored through the detection of phosphate in a tap and lake water sample.","PeriodicalId":9420,"journal":{"name":"Canadian Journal of Chemistry","volume":"143 1","pages":""},"PeriodicalIF":1.1,"publicationDate":"2023-01-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74951423","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

Efficient simulation of multielectron dynamics in molecules under intense laser pulses: implementation of the multiconfiguration time-dependent Hartree–Fock method based on the adaptive finite element method 强激光脉冲下分子中多电子动力学的高效模拟:基于自适应有限元法的多构型时变Hartree-Fock方法的实现

IF 1.1 4区化学

Canadian Journal of Chemistry Pub Date : 2023-01-06 DOI: 10.1139/cjc-2022-0280

Y. Orimo, Takeshi Sato, K. Ishikawa

引用次数: 1

Solvation Thermodynamics of Four Amino Acids in Electrolytic Solutions of Sodium and Potassium Iodide salts at 298.15 K 298.15 K下四种氨基酸在碘化钠和碘化钾电解溶液中的溶剂化热力学

IF 1.1 4区化学

Canadian Journal of Chemistry Pub Date : 2022-12-22 DOI: 10.1139/cjc-2022-0251

S. Kundu, K. Mahali, Sanjay Dhar Roy

引用次数: 0

Methylated Mesoporous Silica Loaded with 1-Octadecanol as a New Shape-Stabilized Phase Change Material for Enhanced Thermal Energy Storage Efficiency 负载1-十八醇的甲基化介孔二氧化硅作为提高储热效率的新型形状稳定相变材料

IF 1.1 4区化学

Canadian Journal of Chemistry Pub Date : 2022-12-22 DOI: 10.1139/cjc-2022-0281

Huynh Nguyen Anh Tuan, Le Minh Tam, Giang Tien Nguyen

{"title":"Methylated Mesoporous Silica Loaded with 1-Octadecanol as a New Shape-Stabilized Phase Change Material for Enhanced Thermal Energy Storage Efficiency","authors":"Huynh Nguyen Anh Tuan, Le Minh Tam, Giang Tien Nguyen","doi":"10.1139/cjc-2022-0281","DOIUrl":"https://doi.org/10.1139/cjc-2022-0281","url":null,"abstract":"Here, a 1-octadecanol/methylated mesoporous silica (OD/M-MS) shape-stabilized phase change material (SSPCM) was prepared with enhanced thermal energy storage. The M-MS was synthesized by methylation of low-cost mesoporous silica (MS) with trimethylchlorosilane. Fourier-transformed infrared spectroscopy (FTIR), N2 adsorption-desorption isotherm, and thermogravimetric analysis (TGA) confirmed successful methylation of MS. 1-Octadecanol (OD) was then impregnated into the pores of MS and M-MS to form OD/MS and OD/M-MS SSPCMs and their thermal properties were thoroughly characterized and compared. FTIR result of OD/MS revealed interfacial hydrogen bond (H-bond) interactions between the hydroxyl group (–OH) on the OD molecules and silanol groups (Si–OH) on the MS surface. These interactions prevented the free movement and ordered arrangement of OD molecules for crystallization, thus declining the heat storage capacity. By methylating the MS surface, the H-bond interactions were suppressed and the OD/M-MS could recover the thermal performance. The heat storage capacity increased by 96.8% from 43.5 J/g of OD/MS to 85.6 J/g of OD/M-MS. Moreover, a test of 400 accelerated thermal cycles proved good thermal reliability for OD/M-MS SSPCM. This work provides an effective strategy to achieve OD/M-MS SSPCM with low cost and high thermal performance, promising for large-scale thermal energy storage applications.","PeriodicalId":9420,"journal":{"name":"Canadian Journal of Chemistry","volume":"176 1","pages":""},"PeriodicalIF":1.1,"publicationDate":"2022-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82803450","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

Structures and Dissociation of Iron Porphyrin Complexes by Ion Mobility and Collision-Induced Dissociation Mass Spectrometry 离子迁移和碰撞诱导解离质谱法研究铁卟啉配合物的结构和解离

IF 1.1 4区化学

Canadian Journal of Chemistry Pub Date : 2022-12-22 DOI: 10.1139/cjc-2022-0133

Ameneh Gholami, O. Hampe, P. Mayer

{"title":"Structures and Dissociation of Iron Porphyrin Complexes by Ion Mobility and Collision-Induced Dissociation Mass Spectrometry","authors":"Ameneh Gholami, O. Hampe, P. Mayer","doi":"10.1139/cjc-2022-0133","DOIUrl":"https://doi.org/10.1139/cjc-2022-0133","url":null,"abstract":"A combination of ion mobility mass spectrometry (IMS-MS), collision-induced dissociation (CID), RRKM modeling, and computational chemistry was used to determine the structure and unimolecular chemistry of dimeric and trimeric sulfonated meso-tetraphenylporphyrins with negative charges from -2 to -5. By comparing experimental collision cross-sections obtained from calibrated IMS drift times with calculated cross sections for the lowest energy calculated structures, it was confirmed that dimer species have a bridged structure where the two monomers are connected through iron-sulfonic interactions. Dimer species with the charge states -4 and -5 dissociate into two monomer units where the charge is distributed between the monomers. Dimers with lower charge states also lose neutral SO2 and SO3 groups. For trimeric species with charge states of -3 and -4, IMS identifies three and two isomers, respectively. It was confirmed that the -4 charged trimer isomers consist of one with three stacked monomers and one in which the third monomer unit is connected to a stacked dimer via two iron-sulfonic bonds (bridged/stacked). Both yielded the same CID breakdown diagram confirming that the two isomers likely interconvert prior to dissociation. The significantly larger density of states of the bridged-stacked structure compared to the stacked structure means the former is likely the reactive configuration.","PeriodicalId":9420,"journal":{"name":"Canadian Journal of Chemistry","volume":"49 1","pages":""},"PeriodicalIF":1.1,"publicationDate":"2022-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90814465","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