Journal of Fluorine Chemistry最新文献_第7页

Gram-scale synthesis and physicochemical properties of exo- and endo-5,5-difluorooctahydropentalen-2-amines 外-和内-5,5-二氟八氢戊烯-2胺的克级合成及其理化性质

IF 1.9 4区化学

Journal of Fluorine Chemistry Pub Date : 2025-10-01 Epub Date: 2025-10-07 DOI: 10.1016/j.jfluchem.2025.110484

Olena Voloshyna , Bohdan Moroz , Kostiantyn P. Melnykov , Serhii Holovach , Dmytro Lesyk , Yuliia Holota , Petro Borysko , Andrey A. Filatov , Oleksandr O. Grygorenko

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Experimental and theoretical studies for optimization of NF3 removal from semiconductor processes using microwave plasma torch 微波等离子体炬去除半导体工艺中NF3优化的实验与理论研究

IF 1.9 4区化学

Journal of Fluorine Chemistry Pub Date : 2025-10-01 Epub Date: 2025-09-10 DOI: 10.1016/j.jfluchem.2025.110478

J.H. Kim, C.H. Cho, I.J. Kang, J.K. Yang, H. Choi

{"title":"Experimental and theoretical studies for optimization of NF3 removal from semiconductor processes using microwave plasma torch","authors":"J.H. Kim, C.H. Cho, I.J. Kang, J.K. Yang, H. Choi","doi":"10.1016/j.jfluchem.2025.110478","DOIUrl":"10.1016/j.jfluchem.2025.110478","url":null,"abstract":"<div><div>Nitrogen trifluoride (NF3), with a global warming potential (GWP) of 16,100, is increasingly being used in the manufacturing of flat-panel displays, photovoltaics, light-emitting diodes (LEDs), and other microelectronics and semiconductors, and efficient processes for its removal using less energy to increase productivity are being developed. In this study, an optimal process was developed by comparing the processes of injecting oxygen and steam as the oxidising agents to increase the decomposition rate of NF3 using a microwave plasma torch. Using a microwave plasma torch, 1000 J/L of energy was saved compared to the previous method of applying the gas treatment flow rate of a commercially available scrubber (nitrogen: 250 L/min, NF3:5000 ppm). In the optimal process, steam (6 and 10 g/min) was used as the oxidising agent, 1000 J/L of energy was consumed, and at least 5 kW of plasma power was used. Under these conditions, destruction and removal efficiencies (DREs) of > 99 % were achieved. For theoretical verification, chemical reaction rates of NF3 with oxygen and steam were calculated and compared with the experimental results. The comparison showed that the chemical reaction rate of steam was higher than that of oxygen, and the experiment confirmed that when steam was used as an oxidising agent, NF3 could be decomposed using less energy than that of oxygen.</div></div>","PeriodicalId":357,"journal":{"name":"Journal of Fluorine Chemistry","volume":"287 ","pages":"Article 110478"},"PeriodicalIF":1.9,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145057336","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}

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A density functional theory approach for design of fluorine-containing dianionic ionic liquids and investigation of some of their physical and chemical properties 用密度泛函理论方法设计含氟重阴离子液体及其一些理化性质的研究

IF 1.9 4区化学

Journal of Fluorine Chemistry Pub Date : 2025-10-01 Epub Date: 2025-09-22 DOI: 10.1016/j.jfluchem.2025.110480

Mohammad Rizehbandi, Behzad Khalili, Khatereh Ghauri

{"title":"A density functional theory approach for design of fluorine-containing dianionic ionic liquids and investigation of some of their physical and chemical properties","authors":"Mohammad Rizehbandi, Behzad Khalili, Khatereh Ghauri","doi":"10.1016/j.jfluchem.2025.110480","DOIUrl":"10.1016/j.jfluchem.2025.110480","url":null,"abstract":"<div><div>This study used density functional theory (DFT) calculations to investigate the properties of four novel dianionic ionic liquids (DAILs) named as [PMIM]2[TFTP], [PMTA1]2[TFTP], [PMTA2]2[TFTP] and [PMTTA]2[TFTP]. These DAILs consist of a tetrafluoro terephthalate ([TFTP]2-) dianion and various functionalized imidazolium, triazolium and tetrazolium-based cations allowing for an analysis of how cation structure (specifically nitrogen atom number and position) and fluorination affect the DAILs' stability, electronic properties, and electrochemical behavior. The research evaluated energetic, electronic, and thermodynamic parameters, as well as electrostatic potential maps and topological properties, to understand the relationship between DAIL structure and its characteristics. The fluorinated dianion showed a planar preference for interaction with the cation's five-membered rings. Importantly, hydrogen bonding, in conjunction with electrostatic interactions, significantly contributes to the stability of these DAILs and will likely influence their physicochemical properties and suitability for specific applications. The interaction energies for the most stable configurations of the examined DAILs vary between -235.82 and -269.36 kcal mol-1 at M06–2X-GD3/AUG-cc-pVDZ theory level and following a decreasing trend in the order of: [PMIM]2[TFTP] < [PMTA1]2[TFTP] < [PMTA2]2[TFTP] < [PMTTA]2[TFTP]. Additionally, the HOMO–LUMO energy gaps, spanning from 6.49 to 7.38 eV, highlighted notable stability trends in the series. Charge transfer values obtained through NBO analysis were observed between 0.2318 and 0.7307 a.u., reaffirming the contributions of hydrogen bonding.</div></div>","PeriodicalId":357,"journal":{"name":"Journal of Fluorine Chemistry","volume":"287 ","pages":"Article 110480"},"PeriodicalIF":1.9,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145216482","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}

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Selectfluor-mediated transformation of cedrol and cedrene under the Ritter reaction conditions 在里特反应条件下，选择性荧光介导的雪松醛和雪松醛转化

IF 1.9 4区化学

Journal of Fluorine Chemistry Pub Date : 2025-10-01 Epub Date: 2025-09-18 DOI: 10.1016/j.jfluchem.2025.110479

Olga A. Zhupikova, Vyacheslav I. Krasnov, Olga I. Yarovaya, Andrey A. Nefedov, Vadim V. Bardin, Yuri V. Gatilov, Artem D. Rogachev, Nariman F. Salakhutdinov, Mikhail V. Khvostov

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Syntheses, characterization, and computational study of heptacoordinate adducts of WOF4 and MoOF4 WOF4和MoOF4七配位加合物的合成、表征及计算研究

IF 1.9 4区化学

Journal of Fluorine Chemistry Pub Date : 2025-10-01 Epub Date: 2025-10-13 DOI: 10.1016/j.jfluchem.2025.110487

Craig Sommer, Dakota L. Leenstra, Ryan Fjordbotten, Douglas Turnbull, Stacey D. Wetmore, Michael Gerken

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Synthesis and properties of energetic N-fluorodinitromethyl heterocyclic salts 含能n -氟二硝基甲基杂环盐的合成与性能研究

IF 1.7 4区化学

Journal of Fluorine Chemistry Pub Date : 2025-07-01 Epub Date: 2025-05-27 DOI: 10.1016/j.jfluchem.2025.110436

Andrei A. Gakh , Victor V. Semenov

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Purification of uranium tetrafluoride using ammonium bifluoride 用二氟化铵提纯四氟化铀

IF 1.7 4区化学

Journal of Fluorine Chemistry Pub Date : 2025-07-01 Epub Date: 2025-06-19 DOI: 10.1016/j.jfluchem.2025.110449

Kyle R. Foster , Juliano Schorne-Pinto , Ronald E. Booth , Annabelle Husek , Mina Aziziha , Hunter B. Tisdale , Bernie W.N. Fitzpatrick , Hans-Conrad zur Loye , Markus H.A. Piro , Theodore M. Besmann

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Synthesis of 1,1,2,2,3,3,4,4-octafluoro-4-[(1,2,2-trifluoroethenyl)oxy]butanesulfonyl fluoride 1,1,2,2,3,3,4,4-辛氟-4-[（1,2,2-三氟乙烯基）氧]丁烷磺酰氟的合成

IF 1.7 4区化学

Journal of Fluorine Chemistry Pub Date : 2025-07-01 Epub Date: 2025-05-24 DOI: 10.1016/j.jfluchem.2025.110432

Nobuyuki Uematsu , Hideo Saito , Masa-aki Sasayama , Sayuri Aoki , Mikihiko Nakamura , Nobuto Hoshi , Masanori Ikeda

{"title":"Synthesis of 1,1,2,2,3,3,4,4-octafluoro-4-[(1,2,2-trifluoroethenyl)oxy]butanesulfonyl fluoride","authors":"Nobuyuki Uematsu , Hideo Saito , Masa-aki Sasayama , Sayuri Aoki , Mikihiko Nakamura , Nobuto Hoshi , Masanori Ikeda","doi":"10.1016/j.jfluchem.2025.110432","DOIUrl":"10.1016/j.jfluchem.2025.110432","url":null,"abstract":"<div><div>We investigated two synthetic routes (Route A: first synthesis of the CF2<img>CFO group and then the SO2F group, Route B: first synthesis of the SO2F group and then the CF2<img>CFO group) to synthesize CF2<img>CFO(CF2)4SO2F (SSC monomer), the raw material for the short-side-chain perfluorinated polymer electrolyte membrane, from I(CF2)4I using the same commercially available reagents but in different order of use. In Route A, by-products [CF2<img>CFO(CF2)4I and the compound presumed to have the structure of CF2SO2F] were formed in the second half of the synthesis of SSC monomer, but they were difficult to remove from SSC monomer. On the other hand, in Route B, by-product I(CF2)4I formed in the first half of the synthesis of SSC monomer was easily removed by the conversion with oleum. In addition, the reaction of I(CF2)4I with Na2S2O4 produced I(CF2)4SO2Na and NaO2S(CF2)4SO2Na, which were separated by the extraction operation with ethyl acetate, and NaO2S(CF2)4SO2Na was converted to I(CF2)4I by chlorine gas in the presence of NaI. We chose Route B and obtained high-purity SSC monomer.</div></div>","PeriodicalId":357,"journal":{"name":"Journal of Fluorine Chemistry","volume":"285 ","pages":"Article 110432"},"PeriodicalIF":1.7,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144205051","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}

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Non-defluorinative Hydrolysis of α- and β-Fluorinated Carboxylic Acid Esters α-和β-氟化羧酸酯的非脱氟水解

IF 1.9 4区化学

Journal of Fluorine Chemistry Pub Date : 2025-07-01 Epub Date: 2025-08-06 DOI: 10.1016/j.jfluchem.2025.110458

Weihao Li , Qiaoya Wang , Yanchen Zhou , Zuci Ke , Yuhui Niu , Weiwei Hou , Sheng Wang , Mingyou Hu

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Environmental implications of alternatives to Per- and Polyfluoroalkylated Substances (PFAS): Synthesis and role in Aqueous Film Forming Foam (AFFF) 全氟和多氟烷基物质（PFAS）替代品的环境影响：合成及其在水成膜泡沫（AFFF）中的作用

IF 1.9 4区化学

Journal of Fluorine Chemistry Pub Date : 2025-07-01 Epub Date: 2025-08-27 DOI: 10.1016/j.jfluchem.2025.110462

Versha Joshi , Durgesh Nandini , Roli Purwar

{"title":"Environmental implications of alternatives to Per- and Polyfluoroalkylated Substances (PFAS): Synthesis and role in Aqueous Film Forming Foam (AFFF)","authors":"Versha Joshi , Durgesh Nandini , Roli Purwar","doi":"10.1016/j.jfluchem.2025.110462","DOIUrl":"10.1016/j.jfluchem.2025.110462","url":null,"abstract":"<div><div>Per- and Polyfluoroalkylated Substances (PFASs) have plethora of usage due to their distinctive structure and unconventional performance. Global occurrence of legacy PFASs possesses serious concern due to their high persistence, toxicity, bioaccumulative behaviour and pervasive distribution in the environment, biota and humans. As conventional PFASs are being regulated, short chain perfluoroalkyl carboxylates or sulfonates with C4 and C6 hydrophobic chain length are increasingly being utilized as a substitute. Although the short chain alternatives lie in the eagle’s eye of the environmental fraternity, their unrivalled performance in fire-fighting gives them an edge over the other available contemporaries. This review prospects the synthetic methodologies of relevant zwitterionic fluorosurfactants specifically in accordance to newer and safer designs highlighting the comparison of surface properties with traditional long chain fluorinated surfactants. Additionally, it includes the application of the newly tailored fluorinated zwitterionic surfactant in the field of firefighting foam, its potential benefits and irreplaceable performance in comparison to the legacy PFAS including assessment of its environmental impact on ecology and human life.</div></div>","PeriodicalId":357,"journal":{"name":"Journal of Fluorine Chemistry","volume":"285 ","pages":"Article 110462"},"PeriodicalIF":1.9,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144908541","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}

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