Journal of Fluorine Chemistry最新文献

New synthesis of meso-substituted 4,4-Difluoro-4-bora-3a, 4a-diaza-s-indacene (BODIPY) with fluorene 用芴合成介位取代4,4-二氟-4-硼-3a， 4-二氮-s-茚二烯（BODIPY）

IF 1.9 4区化学

Journal of Fluorine Chemistry Pub Date : 2025-10-01 DOI: 10.1016/j.jfluchem.2025.110485

Sujun Wei, Francisco Caban , Jiayi Xue , Feruza Turobova

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Direct S-difluoromethylation of thiols: A facile synthetic route to difluoromethyl thioethers 硫醇的直接s -二氟甲基化：二氟甲基硫醚的简便合成途径

IF 1.9 4区化学

Journal of Fluorine Chemistry Pub Date : 2025-10-01 DOI: 10.1016/j.jfluchem.2025.110475

Ahmed Aldulaimi , Shakir Mahmood Saeed , Soumya V Menon , Waam Mohammed Taher , Ruya yilmaz saber , Subhashree Ray , Karthikeyan Jayabalan , Aashna Sinha , Mariem Alwan , Renu Sharma

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Synthesis and characterization of fluorinated benzene-based carriers for melt-cast explosives 熔铸炸药用氟化苯基载体的合成与表征

IF 1.9 4区化学

Journal of Fluorine Chemistry Pub Date : 2025-10-01 DOI: 10.1016/j.jfluchem.2025.110481

Suming Jing , Zhineng Wang , Keyao Li , Qianxiong Chen , Xuesong Zhang , Wei Zhang , Mingwei Liu

{"title":"Synthesis and characterization of fluorinated benzene-based carriers for melt-cast explosives","authors":"Suming Jing , Zhineng Wang , Keyao Li , Qianxiong Chen , Xuesong Zhang , Wei Zhang , Mingwei Liu","doi":"10.1016/j.jfluchem.2025.110481","DOIUrl":"10.1016/j.jfluchem.2025.110481","url":null,"abstract":"<div><div>The design and synthesis of high-performance melt-cast explosive carriers are of strategic significance for advancing weapon system technologies. In this study, three fluorinated benzene-based melt-cast explosive carriers—3-fluoro-2,4,6-trinitroanisole (FTNAN), 3-fluoro-2,4,6-trinitrotoluene (FTNT), and 1-fluoro-2,4-dinitro-5-(trifluoromethyl)benzene (TFDNT)—were synthesized using benzene rings as the molecular scaffold, with fluorine atoms and nitro groups serving as energetic modifiers. Structural characterization was systematically conducted through Fourier-transform infrared spectroscopy (FTIR), nuclear magnetic resonance spectroscopy (¹H/¹³C NMR), elemental analysis, and differential scanning calorimetry (DSC). Single-crystal X-ray diffraction unambiguously confirmed their molecular configurations. Energetic performance evaluation involved computational modeling using Gaussian 09 (heat of formation calculations) and EXPLO5 (detonation parameter predictions). Experimental and theoretical analyses demonstrated that FTNAN and FTNT exhibit superior properties.</div></div>","PeriodicalId":357,"journal":{"name":"Journal of Fluorine Chemistry","volume":"287 ","pages":"Article 110481"},"PeriodicalIF":1.9,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145262785","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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Effect of graphene stack thickness on gaseous fluorination of graphitic materials 石墨烯堆叠厚度对石墨材料气态氟化的影响

IF 1.9 4区化学

Journal of Fluorine Chemistry Pub Date : 2025-10-01 DOI: 10.1016/j.jfluchem.2025.110483

Viktor G. Makotchenko , Alexander M. Panich , Ekaterina D. Grayfer

{"title":"Effect of graphene stack thickness on gaseous fluorination of graphitic materials","authors":"Viktor G. Makotchenko , Alexander M. Panich , Ekaterina D. Grayfer","doi":"10.1016/j.jfluchem.2025.110483","DOIUrl":"10.1016/j.jfluchem.2025.110483","url":null,"abstract":"<div><div>Fluorinated graphitic materials are widely studied for various applications including energy storage, lubricants, hydrophobic coatings, neutron reflectors, etc. Here, we investigate the F<sub>2</sub> gas fluorination of three starting graphitic materials with different thicknesses: graphite, multi-layer graphene, and “graphene paper”. All synthesized products exhibit similar interplanar spacings, FTIR and XPS spectral characteristics, and similar compositions corresponding to graphite monofluoride CF<sub>1.12</sub>. However, the thickness of the starting compound affects the temperature required for the fluorination and the decomposition temperatures of the resulting fluorides. Fluorinated graphite CF<sub>1.12</sub> prepared from graphite is stable up to 600 °C, while the stability drops dramatically for the fluorinated multi-layer graphene, which starts decomposing already at 100 °C. Besides, few-layer CF<sub>1.12</sub> forms stable colloidal dispersions in organic media, unlike its thicker counterpart. The obtained results will facilitate structural engineering of fluorinated nanographite materials to optimize their properties for potential applications.</div></div>","PeriodicalId":357,"journal":{"name":"Journal of Fluorine Chemistry","volume":"287 ","pages":"Article 110483"},"PeriodicalIF":1.9,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145262786","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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Dr. Gennadiy Gershkovich Belen’kii Gennadiy Gershkovich belenkii博士

IF 1.9 4区化学

Journal of Fluorine Chemistry Pub Date : 2025-10-01 DOI: 10.1016/j.jfluchem.2025.110482

Viacheslav Petrov

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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 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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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 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]<sub>2</sub>[TFTP], [PMTA1]<sub>2</sub>[TFTP], [PMTA2]<sub>2</sub>[TFTP] and [PMTTA]<sub>2</sub>[TFTP]. These DAILs consist of a tetrafluoro terephthalate ([TFTP]<sup>2-</sup>) 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<sup>-1</sup> at M06–2X-GD3/AUG-cc-pVDZ theory level and following a decreasing trend in the order of: [PMIM]<sub>2</sub>[TFTP] < [PMTA1]<sub>2</sub>[TFTP] < [PMTA2]<sub>2</sub>[TFTP] < [PMTTA]<sub>2</sub>[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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Post-Irradiation photoluminescence and thermoluminescence of the ethylene-tetrafluoroethylene copolymer 乙烯-四氟乙烯共聚物的辐照后光致发光和热致发光

IF 1.9 4区化学

Journal of Fluorine Chemistry Pub Date : 2025-09-18 DOI: 10.1016/j.jfluchem.2025.110477

Mannab Yu. Tashmetov , Normamat B. Ismatov , Shermakhmat M. Makhkamov , Sadulla.R. Allayarov , Matthew P. Confer , David A. Dixon

{"title":"Post-Irradiation photoluminescence and thermoluminescence of the ethylene-tetrafluoroethylene copolymer","authors":"Mannab Yu. Tashmetov , Normamat B. Ismatov , Shermakhmat M. Makhkamov , Sadulla.R. Allayarov , Matthew P. Confer , David A. Dixon","doi":"10.1016/j.jfluchem.2025.110477","DOIUrl":"10.1016/j.jfluchem.2025.110477","url":null,"abstract":"<div><div>The effect of γ-irradiation on the post-irradiation thermoluminescent and photoluminescent properties of an industrial ethylene-tetrafluoroethylene (ETFE) copolymer was investigated. The radiothermoluminescence (RTL) curve in the temperature range of 77 to 400 K exhibits three maxima: the most intense peak occurs at 116 K, while two additional maxima appear as shoulders at 168 K and 210 K. These maxima result from the formation and subsequent quenching of electronically excited states caused by the recombination of charge carriers accumulated during γ-irradiation of the copolymer at 77 K. Photoluminescence arises from the radiative recombination of excitons formed in the copolymer upon photoexcitation with a xenon lamp at 300 K. The photoluminescence maximum occurs at 340 nm, and its intensity decreases as the γ-irradiation dose increases. Structural defects and macromolecular cross-linking induced by γ-irradiation act as centers of nonradiative exciton recombination, thereby reducing the intensity of the post-irradiation luminescence of the copolymer. Electronic structure predictions of the degradation thermodynamics indicate that polymer backbone degradation through either loss of small unsaturated molecules or carbenes is unfavorable at room temperature but is possible under γ-irradiation conditions.</div></div>","PeriodicalId":357,"journal":{"name":"Journal of Fluorine Chemistry","volume":"287 ","pages":"Article 110477"},"PeriodicalIF":1.9,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145105781","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 : 2025-09-18 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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Evaluation of self-decomposition of trans-1,2-difluoroethylene by spark ignition 火花点火法对反式-1,2-二氟乙烯自分解的评价

IF 1.9 4区化学

Journal of Fluorine Chemistry Pub Date : 2025-09-10 DOI: 10.1016/j.jfluchem.2025.110463

Takashi Usui , Tomoyuki Goto , Takashi Yoshimura , Yasufu Yamada , Kaito Santa , Yasuhiro Oshime , Kenji Takizawa , Takaaki Mizutani

{"title":"Evaluation of self-decomposition of trans-1,2-difluoroethylene by spark ignition","authors":"Takashi Usui , Tomoyuki Goto , Takashi Yoshimura , Yasufu Yamada , Kaito Santa , Yasuhiro Oshime , Kenji Takizawa , Takaaki Mizutani","doi":"10.1016/j.jfluchem.2025.110463","DOIUrl":"10.1016/j.jfluchem.2025.110463","url":null,"abstract":"<div><div>Trans-1,2-difluoroethylene (R-1132(E)) is expected as a next-generation refrigerant component because of its ultra-low global warming potential (GWP) compared to previous refrigerants. However, R-1132(E) is unstable and self-decomposed in the presence of an ignition source similar to tetrafluoroethylene (TFE) and trifluoroethylene (HFO-1123). In this reseach, the self-decomposition of R-1132(E) and its mixture was investigated by spark generator to elucidate the self-decomposition limit conditions in terms of initial gas pressure (<em>p</em><sub>0</sub>) and spark discharge energy (<em>E</em><sub>d</sub>). It was found that the <em>E</em><sub>d</sub> for self-decomposition of R-1132(E) and its mixture depends on the <em>p</em><sub>0</sub> and there is the relationship of <em>E</em><sub>d</sub> ∝ 1/<em>p</em><sub>0</sub><sup>2</sup>. The self-decomposition boundary (SDB) in <em>E</em><sub>d</sub> was increased with increasing discharge duration. The study of SDB in <em>p</em><sub>0</sub> for R-1132(E) mixed with 2,3,3,3-tetrafluoropropene (R-1234yf) indicated the relationship of R-1132(E) density ∝ R-1234yf density. From the above two relationships it was possible to predict SDB in <em>p</em><sub>0</sub> for any <em>E</em><sub>d</sub>.</div></div>","PeriodicalId":357,"journal":{"name":"Journal of Fluorine Chemistry","volume":"287 ","pages":"Article 110463"},"PeriodicalIF":1.9,"publicationDate":"2025-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145027549","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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