Journal of Fluorine Chemistry最新文献

Regioselective gold-catalyzed addition of phenols, alcohols and carboxylic acids to 2,2,2-trifluoroethyl-substituted alkynes 区域选择性金催化苯酚、醇和羧酸加成2,2,2-三氟乙基取代炔

IF 1.6 4区化学

Journal of Fluorine Chemistry Pub Date : 2026-07-01 Epub Date: 2026-06-16 DOI: 10.1016/j.jfluchem.2026.110589

Raphaël Pronovost, Raphaël Gauthier, Nikolaos V. Tzouras, Steven P. Nolan, Jean-François Paquin

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Influences of substituent position and type on the melting point of fluorinated cast carrier explosives 取代基位置和类型对氟化铸载炸药熔点的影响

IF 1.6 4区化学

Journal of Fluorine Chemistry Pub Date : 2026-07-01 Epub Date: 2026-06-25 DOI: 10.1016/j.jfluchem.2026.110593

Yujie Yan, Tao Huang, Chengrong Wang, Liqiong Luo, Rufang Peng, Bo Jin

{"title":"Influences of substituent position and type on the melting point of fluorinated cast carrier explosives","authors":"Yujie Yan, Tao Huang, Chengrong Wang, Liqiong Luo, Rufang Peng, Bo Jin","doi":"10.1016/j.jfluchem.2026.110593","DOIUrl":"10.1016/j.jfluchem.2026.110593","url":null,"abstract":"<div><div>Four fluorinated cast-carrier explosives were prepared using fluorinated benzene rings as raw materials via a high-temperature nitration method: 2,4-difluoro-3-methyl-1,5-dinitrobenzene (mDFDNT), 3-Fluoro-2-methyl-4,6-dinitroaniline (mDFDNTN), 1,2-difluoro-4-methyl-3,5-dinitrobenzene (qDFDNT), and 6-fluoro-3-methyl-2,4-dinitroaniline (qDFDNTN). The densities of the four explosives were 1.86, 1.681, 1.680, and 1.683 g cm−1, respectively, with melting points of 79.6 °C, 182.3 °C, 52.7 °C, and 129.3 °C, respectively. They exhibited moderate mechanical sensitivity, among them, mDFDNT, mDFDNTN and qDFDNT possess an impact sensitivity (IS) ≥ 35 J and friction sensitivity (FS) ≥ 360 N, while qDFDNTN shows IS ≥ 30 J and FS ≥ 324 N. The enthalpy of formation was calculated using the Gaussian 09 program at the CBS-4M level and obtained through an atomization reaction scheme. The heats of formation were -342.09 kJ/mol, -191.44 kJ/mol, -334.11 kJ/mol, and -181.07 kJ/mol, respectively; the detonation velocities were 7017, 6833, 7035, and 6791 m/s, respectively; and the corresponding detonation pressures were 21.4, 20.2, 21.5, and 19.8 GPa. mDFDNTN had the highest melting point due to the enhanced intermolecular hydrogen bonding caused by the introduction of amino groups; Hirshfeld surface analysis also confirmed this conclusion. Though mDFDNT/qDFDNT and mDFDNTN/qDFDNTN have the same molecular formula, their substituents are located at different positions, and differing only in the position of the substituents, the four compounds exhibited significant differences in melting points, indicating that the position and type of substituents have a crucial influence on the melting point of cast-supported explosives.</div></div>","PeriodicalId":357,"journal":{"name":"Journal of Fluorine Chemistry","volume":"292 ","pages":"Article 110593"},"PeriodicalIF":1.6,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148587711","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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Investigating the effect of stereospecific fluorination on the potency and selectivity of the tricyclic antidepressant, imipramine 探讨立体特异性氟化对三环抗抑郁药丙咪嗪效价和选择性的影响

IF 1.6 4区化学

Journal of Fluorine Chemistry Pub Date : 2026-07-01 Epub Date: 2026-07-02 DOI: 10.1016/j.jfluchem.2026.110594

Ishika Jaitly, Henry Parkins, Oscar Stokoe, Olivia A. Clink, Nicholas W. Barnes, Simona S. Capomolla, Mariah R. Stavrou, Celine Valant, Nicola J. Smith, Luke Hunter

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Synthesis and reactions of perfluoroalkylene-bridged bis(hypervalent iodine) reagents 全氟烷基桥联双（高价碘）试剂的合成与反应

IF 1.6 4区化学

Journal of Fluorine Chemistry Pub Date : 2026-07-01 Epub Date: 2026-07-14 DOI: 10.1016/j.jfluchem.2026.110599

Toshihiko Heima, Kaishi Ogami, Motohiro Yasui, Shigeyuki Yamada, Tsutomu Konno

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Investigation on the temperature dependence of decomposition reaction mechanism of C4F9OC2H5 C4F9OC2H5分解反应机理的温度依赖性研究

IF 1.6 4区化学

Journal of Fluorine Chemistry Pub Date : 2026-07-01 Epub Date: 2026-07-12 DOI: 10.1016/j.jfluchem.2026.110600

Biao Zhou, Xikang Zhang, Xingjian Kang, Muying Ge, Yang Guo, Kai Wang, Hideki Yoshioka

{"title":"Investigation on the temperature dependence of decomposition reaction mechanism of C4F9OC2H5","authors":"Biao Zhou, Xikang Zhang, Xingjian Kang, Muying Ge, Yang Guo, Kai Wang, Hideki Yoshioka","doi":"10.1016/j.jfluchem.2026.110600","DOIUrl":"10.1016/j.jfluchem.2026.110600","url":null,"abstract":"<div><div>Hydrofluoroether (HFE-7200) is a highly promising working fluid for immersion liquid cooling due to its excellent environmental profile, superior insulation properties, and phase-change heat transfer performance. However, it is susceptible to thermal decomposition under high-temperature conditions. To investigate its high-temperature decomposition behavior, pyrolysis experiments were performed in a tube furnace, and the resulting products under various conditions were analyzed via gas chromatography-mass spectrometry (GC–MS). Additionally, the reaction pathways were explored using Gaussian software based on Density Functional Theory (DFT). The results demonstrate that HFE-7200 initiates primary cracking at 400 °C, the 500–700 °C range serves as a rapid growth interval for the pyrolysis conversion, and deep pyrolysis is observed above 700 °C. At 800 °C, near-complete decomposition is achieved within 2 s. The major organic products identified include C2H4, CF3CF=CF2, (CF3)2C<img>CF2, (CF3)2C–C(CF3)2, and CF3OCH2CH3. Furthermore, the HF yield increases significantly with temperature. Four primary reaction pathways were constructed: Pathway A originates from C–O bond cleavage, Pathway B involves C–C bond homolysis, Pathway C is characterized by radical chain reactions, and Pathway D generates ethylene via β-H elimination. This study provides valuable insights and a reference for assessing the decomposition risks of HFE-7200 in high-temperature applications.</div></div>","PeriodicalId":357,"journal":{"name":"Journal of Fluorine Chemistry","volume":"292 ","pages":"Article 110600"},"PeriodicalIF":1.6,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148582299","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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Interrogation of silane incorporation in a modified tetrafluoroethylene-co-Ethyl(vinyl)ether fluoropolymer by nuclear magnetic resonance spectroscopy 核磁共振波谱法研究改性四氟乙烯-共乙基（乙烯基）醚含氟聚合物中硅烷的掺入

IF 1.6 4区化学

Journal of Fluorine Chemistry Pub Date : 2026-07-01 Epub Date: 2026-07-02 DOI: 10.1016/j.jfluchem.2026.110595

Michael C. Davis, Rebecca J. Dooley, Alexander A. Marchione

{"title":"Interrogation of silane incorporation in a modified tetrafluoroethylene-co-Ethyl(vinyl)ether fluoropolymer by nuclear magnetic resonance spectroscopy","authors":"Michael C. Davis, Rebecca J. Dooley, Alexander A. Marchione","doi":"10.1016/j.jfluchem.2026.110595","DOIUrl":"10.1016/j.jfluchem.2026.110595","url":null,"abstract":"<div><div>A tetrafluoroethylene-co-ethyl(vinyl)ether copolymer has been interrogated to evaluate polymer composition and probe incorporation of a triisopropoxyvinylsilane. Fluoropolymers have applications in the electronics and semiconductor industries but since fluorinated polymers have both hydro- and oleophobic properties adhesion to certain substrates can be a challenge. Modifiers, including silanes, can be incorporated to enhance substrate binding and provide a mechanism for crosslinking allowing the polymer to maintain a rigid network with a required geometry. The concentration and structure of silane in the uncrosslinked polymer are, therefore, critical for understanding physical performance. Nuclear Magnetic Resonance (NMR) allows polymer structure to be interrogated probing the unique electrochemical bonding environment of a nucleus of interest. Short range order can be elucidated by different multidimensional NMR experiments that probe connectivity either through space or through bond. In this study NMR has been utilized to characterize a polyfluorinated silane modifying polymer, where multiple nonequivalent silane structures are observed.</div></div>","PeriodicalId":357,"journal":{"name":"Journal of Fluorine Chemistry","volume":"292 ","pages":"Article 110595"},"PeriodicalIF":1.6,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148582301","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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Ylide-CF2H as difluorocarbene precursor for ring-opening difluoromethylation of cyclic (thio)ethers Ylide-CF2H作为环（硫）醚开环二氟甲基化的二氟苯前体

IF 1.6 4区化学

Journal of Fluorine Chemistry Pub Date : 2026-07-01 Epub Date: 2026-07-04 DOI: 10.1016/j.jfluchem.2026.110596

Yining Li, Qilong Shen

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Degradation pathways of perfluoro-2-methyl-3-pentanone in different solvents: a multinuclear NMR and DFT study 全氟-2-甲基-3-戊酮在不同溶剂中的降解途径：多核磁共振和DFT研究

IF 1.6 4区化学

Journal of Fluorine Chemistry Pub Date : 2026-07-01 Epub Date: 2026-07-09 DOI: 10.1016/j.jfluchem.2026.110598

Stefano Todisco, Paolo Antonio Di Lorenzo, Giacomo Saielli, Vito Gallo, Valeria Veronico, Salvatore Sgrò, Piero Mastrorilli

{"title":"Degradation pathways of perfluoro-2-methyl-3-pentanone in different solvents: a multinuclear NMR and DFT study","authors":"Stefano Todisco, Paolo Antonio Di Lorenzo, Giacomo Saielli, Vito Gallo, Valeria Veronico, Salvatore Sgrò, Piero Mastrorilli","doi":"10.1016/j.jfluchem.2026.110598","DOIUrl":"10.1016/j.jfluchem.2026.110598","url":null,"abstract":"<div><div>The perfluorinated ketone perfluoro-2-methyl-3-pentanone (1) is a fire protection fluid of great merchandise importance whose analysis of purity can be easily carried out by NMR techniques. However, while 1 is very stable (at least one year) in the neat state, it reacts with moisture when dissolved in NMR solvents such as acetone-d6, acetonitrile-d3 or dimethylsulfoxide-d6 producing the gem‑diol perfluoro-2-methyl-3,3-pentandiol (2) as the major product in acetone-d6 or in acetonitrile-d3; and a perfluoropropionic acid/CF3CFHCF3 (3/4) mixture in dimethylsulfoxide-d6. Good stability was observed in CDCl3 or in C6D6. A multinuclear NMR analysis using both a low-field machine (80 MHz benchtop spectrometer) and a medium-field machine (400 MHz spectrometer) and a DFT study that confirmed the existence of through-space spin-spin coupling for 1, as well as the mechanism of water induced degradation of 1, is reported.</div></div>","PeriodicalId":357,"journal":{"name":"Journal of Fluorine Chemistry","volume":"292 ","pages":"Article 110598"},"PeriodicalIF":1.6,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148582300","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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Theoretical prediction of novel Li–Ag(II)–F quantum magnets using evolutionary algorithms 基于进化算法的新型Li-Ag (II) -F量子磁体的理论预测

IF 1.6 4区化学

Journal of Fluorine Chemistry Pub Date : 2026-07-01 Epub Date: 2026-07-07 DOI: 10.1016/j.jfluchem.2026.110597

Katarzyna Kuder, Wojciech Grochala

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Reactions of polyfluorinated chalcones with hydroxylamine and subsequent intramolecular cyclization 多氟查尔酮与羟胺的反应及随后的分子内环化

IF 1.6 4区化学

Journal of Fluorine Chemistry Pub Date : 2026-07-01 Epub Date: 2026-06-23 DOI: 10.1016/j.jfluchem.2026.110591

I.N. Gavrilov, N.A. Orlova, P.A. Demakov, T.V. Rybalova

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