Canadian Journal of Chemistry最新文献_第9页

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

Polypyridine-Based Architectures for Smart Electrochromic and Energy Storage Materials 基于多吡啶的智能电致变色和储能材料结构

IF 1.1 4区化学

Canadian Journal of Chemistry Pub Date : 2022-12-22 DOI: 10.1139/cjc-2022-0268

Nadia O. Laschuk, I. Ebralidze, Olena V. Zenkina

{"title":"Polypyridine-Based Architectures for Smart Electrochromic and Energy Storage Materials","authors":"Nadia O. Laschuk, I. Ebralidze, Olena V. Zenkina","doi":"10.1139/cjc-2022-0268","DOIUrl":"https://doi.org/10.1139/cjc-2022-0268","url":null,"abstract":"The emerging role of metal-organic coordination compounds in the development of electrochromic materials fueled a growing interest in both the development of the new systems and their effective integration into functional devices. Coordination complexes of late transition metals with polypyridine ligands, like 2’- bipyridine (bpy) and 2,2’:6’,2”-terpyridine (tpy) often feature bright colours as a result of strong metal-to-ligand charge transfer. These colours could be reversibly bleached by oxidation of the metal centre and restored upon the metal centre reduction. The colour and its intensity can be controlled in different ways: by changing the nature of the metal centre(s) and by structural modification of ligand(s); by the construction of various metal-organic motifs and embedding them into devices, as well as by controlled layer-by-layer growth of the coordination assemblies on the surface of interest. The versatility of the available molecular building blocks allows for the systematic programming of the desired properties of the metal-organic units that could be effectively translated into the devices. This makes polypyridine metal complexes advantageous candidates for the design of effective electrochromic materials. Here, we review the evolution of electrochromic materials and devices based on molecularly defined bpy and tpy coordination adducts of late transition metals integrated into functional electrochromic devices over the past decade.","PeriodicalId":9420,"journal":{"name":"Canadian Journal of Chemistry","volume":"70 1","pages":""},"PeriodicalIF":1.1,"publicationDate":"2022-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85829943","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

Intersystem Crossing and Intramolecular Triplet Excitation Energy Transfer in Spiro[9,10-dihydro-9-oxoanthracene-10,2´- 5´,6´-benzindan] Investigated by DFT/MRCI Methods 用DFT/MRCI方法研究了螺旋[9,10-二氢-9-氧蒽-10,2′- 5′，6′-联苯丹]的体系间交叉和分子内三重态激发能转移

IF 1.1 4区化学

Canadian Journal of Chemistry Pub Date : 2022-12-22 DOI: 10.1139/cjc-2022-0259

S. Metz, Tobias Böhmer, Ben Raunitschke, C. Marian

{"title":"Intersystem Crossing and Intramolecular Triplet Excitation Energy Transfer in Spiro[9,10-dihydro-9-oxoanthracene-10,2´- 5´,6´-benzindan] Investigated by DFT/MRCI Methods","authors":"S. Metz, Tobias Böhmer, Ben Raunitschke, C. Marian","doi":"10.1139/cjc-2022-0259","DOIUrl":"https://doi.org/10.1139/cjc-2022-0259","url":null,"abstract":"Recent experimental studies of a spiro-linked anthracenone (A)–naphthalene (N) compound (AN) in butyronitrile solution [Dobkowski et al., J. Phys. Chem. A 2019, 123, 6978] proposed an excited-state energy dissipation pathway {1ππ*(N)+1ππ*(A)}→1nπ*(A)→3nπ*(A)→3ππ*(N). However, a detailed theoretical study employing combined density functional theory and multireference configuration interaction methods, performed in the present work, suggests that the photoexcitation decay follows a different pathway. In butyronitrile solution, the intersystem crossing (ISC) follows the well-established El-Sayed rule and involves the 3ππ*(A) state which is found to be the lowest excited triplet state localized on the anthracenone moiety. Because the Dexter triplet excitation energy transfer (TEET) to the first excited triplet state of the naphthalene subunit is forbidden in C2v symmetry, it is mandatory to go beyond the Condon approximation in modeling this process. Non-adiabatic coupling matrix elementswere computed to obtain a TEET rate different from zero. Our calculations yield time constants of 5 ps for the 1nπ*(A)→3ππ*(A) ISC and of 3 ps for the subsequent 3ππ*(A)→3ππ*(N) TEET in butyronitrile whereas the energy dissipation involving the 3nπ*(A) state as an intermediate occurs on a much longer time scale.","PeriodicalId":9420,"journal":{"name":"Canadian Journal of Chemistry","volume":"34 1","pages":""},"PeriodicalIF":1.1,"publicationDate":"2022-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81518650","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

Enhancing catalytic activity of V2O5/TiO2 in H2S selective oxidation by modulating oxygen adsorption conditions 通过调节氧吸附条件提高V2O5/TiO2在H2S选择性氧化中的催化活性

IF 1.1 4区化学

Canadian Journal of Chemistry Pub Date : 2022-12-19 DOI: 10.1139/cjc-2022-0167

Hyunju Lee, Jae-Hwan Yang

引用次数: 0

Weak and strong π interactions between two monomers - assessed with local vibrational mode theory 两个单体之间的弱和强π相互作用-用局部振动模式理论评价

IF 1.1 4区化学

Canadian Journal of Chemistry Pub Date : 2022-12-16 DOI: 10.1139/cjc-2022-0254

Wenli Zou, M. Freindorf, Vytor P Oliveira, Yunwen Tao, E. Kraka

{"title":"Weak and strong π interactions between two monomers - assessed with local vibrational mode theory","authors":"Wenli Zou, M. Freindorf, Vytor P Oliveira, Yunwen Tao, E. Kraka","doi":"10.1139/cjc-2022-0254","DOIUrl":"https://doi.org/10.1139/cjc-2022-0254","url":null,"abstract":"We introduce in this work a unique parameter for the quantitative assessment of the intrinsic strength of the π–interaction between two monomers forming a complex. The new parameter is a local intermonomer stretching force constant, based on the local mode theory, originally developed by Konkoli and Cremer, and derived from the set of nine possible intermonomer normal vibrational modes. The new local force constant was applied to a diverse set of more than 70 molecular complexes, which was divided into four groups. Group 1 includes atoms, ions, and small molecules interacting with benzene substituted substituted benzenes. Group 2 includes transition metal hydrides and oxides interacting with benzene while Group 3 involves ferrocenes, chromocenes, and titanium sandwich compounds. Group 4 presents an extension to oxygen π–hole interactions in comparison with in-plane hydrogen bonding. We found that the strength of the π–interactions in these diverse molecular complexes can vary from weak interactions with predominantly electro-static character, found e.g., for argon-benzene complexes to strong interactions with a substantial covalent nature, found e.g., for ferrocenes; all being seamlessly described and compared with the new intermonomer local mode force constant, which also outperforms other descriptors such as an averaged force constant or a force constant guided by the electron density bond paths. We hope that our ﬁndings will inspire the community to apply the new parameter also to other intermonomer π–interactions, enriching in this way the broad ﬁeld of organometallic chemistry with a new eﬃcient assessment tool.","PeriodicalId":9420,"journal":{"name":"Canadian Journal of Chemistry","volume":"48 1","pages":""},"PeriodicalIF":1.1,"publicationDate":"2022-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76186124","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: 2