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Journal of Fluorine Chemistry最新文献

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Investigation of the reaction of hexafluoro-1,4-naphthoquinone with substituted phenols 六氟-1,4-萘醌与取代酚反应的研究
IF 1.7 4区 化学
Journal of Fluorine Chemistry Pub Date : 2025-02-01 DOI: 10.1016/j.jfluchem.2025.110402
Ekaterina N. Kudryavtseva, Boris V. Lichitsky, Evgeny V. Tretyakov
{"title":"Investigation of the reaction of hexafluoro-1,4-naphthoquinone with substituted phenols","authors":"Ekaterina N. Kudryavtseva,&nbsp;Boris V. Lichitsky,&nbsp;Evgeny V. Tretyakov","doi":"10.1016/j.jfluchem.2025.110402","DOIUrl":"10.1016/j.jfluchem.2025.110402","url":null,"abstract":"<div><div>Reaction of hexafluoro-1,4-naphthoquinone with various phenols was studied for the first time. It was shown that sodium acetate is a convenient reagent for implementation of the process. The investigated condensation led exclusively to substitution of two fluorine atoms in the quinone core. Based on performed research the method for preparation of substituted 2,3-diaryloxy-5,6,7,8-tetrafluoronaphthalene-1,4-diones was elaborated. Using similar conditions pentafluorobenzo[<em>a</em>]phenoxazine derivatives were obtained from 2-aminophenols. In contrast to phenols cyclic 1,3-diketones in the reaction with perfluoronaphthoquinone act as C-nucleophiles resulting in fluorinated polycondensed furans. Structures of key obtained products were proved using X-ray analysis.</div></div>","PeriodicalId":357,"journal":{"name":"Journal of Fluorine Chemistry","volume":"282 ","pages":"Article 110402"},"PeriodicalIF":1.7,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143394399","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
New insights into the use of carbon and boron nitride nanotubes as sensors for ClF3: A density functional theory analysis 碳和氮化硼纳米管用作ClF3传感器的新见解：密度泛函理论分析
IF 1.7 4区 化学
Journal of Fluorine Chemistry Pub Date : 2025-02-01 DOI: 10.1016/j.jfluchem.2025.110401
Fatemeh Biniaz, Mohammad Reza Zardoost, Mohammad Reza Toosi
{"title":"New insights into the use of carbon and boron nitride nanotubes as sensors for ClF3: A density functional theory analysis","authors":"Fatemeh Biniaz,&nbsp;Mohammad Reza Zardoost,&nbsp;Mohammad Reza Toosi","doi":"10.1016/j.jfluchem.2025.110401","DOIUrl":"10.1016/j.jfluchem.2025.110401","url":null,"abstract":"<div><div>The ability of born nitride and carbon nanotubes to adsorb ClF<sub>3</sub> was investigated by the density functional theory method. The electronic properties including HOMO and LUMO energies, density of states, chemical potential, electrophilicity index, softness, hardness, and natural bond orbital analysis were studied. Our findings indicate that among the studied tubes the (6,0) CNT is more suitable for adsorbing ClF<sub>3</sub> molecule. The adsorption of ClF<sub>3</sub> on the nanotubes significantly reduces the energy gap and hardness parameters of the tubes. This factor increases the conductivity of the system. The adsorption energies in the investigated models are negative, which confirm that the adsorption process is thermodynamically favorable and the complexes are stable. Also, among these compounds, (6,0) CNT- ClF<sub>3</sub> has the greatest adsorption energy. QTAIM calculations confirm the observed adsorption energies.</div></div>","PeriodicalId":357,"journal":{"name":"Journal of Fluorine Chemistry","volume":"282 ","pages":"Article 110401"},"PeriodicalIF":1.7,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143354279","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
Introducing CF3 group at alkenyl C=C bond. Recent developments 在烯基C=C键上引入CF3基团。最近的进展
IF 1.7 4区 化学
Journal of Fluorine Chemistry Pub Date : 2025-02-01 DOI: 10.1016/j.jfluchem.2025.110403
Karolina Paszek, Henryk Koroniak, Katarzyna Koroniak–Szejn
{"title":"Introducing CF3 group at alkenyl C=C bond. Recent developments","authors":"Karolina Paszek,&nbsp;Henryk Koroniak,&nbsp;Katarzyna Koroniak–Szejn","doi":"10.1016/j.jfluchem.2025.110403","DOIUrl":"10.1016/j.jfluchem.2025.110403","url":null,"abstract":"<div><div>Recently, significant interest has been developed in pharmaceuticals containing fluorine The biological effects depend on the number and type of fluorine groups in the drug molecule. Much attention has been also paid to improve biological activity, <em>in vivo</em> stability, or bioavailability by studying the chemical modification of peptide structure. The most frequently studied fluorine-containing functional group is the trifluoromethyl group, which also occurs as a C(sp<sup>2</sup>)–CF<sub>3</sub> bond. The trifluoromethyl alkyl group structure helps the peptide maintain its original <em>β</em>-turn structure, effectively mimicking the natural peptide bond, which allows it to function as its isostere. Therefore, the development of methods for synthesizing the trifluoromethylalkene group is becoming increasingly popular due to the potential of the products as building blocks of bioactive molecules. This review describes various methods for the preparation of the compounds with a trifluoromethylalkene group using trifluorinating reagents via the transition metal-mediated and the transition metal-free trifluoromethylation reactions.</div></div>","PeriodicalId":357,"journal":{"name":"Journal of Fluorine Chemistry","volume":"282 ","pages":"Article 110403"},"PeriodicalIF":1.7,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143420653","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
Exploration of 2-(pentafluoro-λ6-sulfanyl)ethane-1-sulfonyl chloride as a novel pentafluorosulfanylation reagent 2-（五氟-λ6-磺酰）乙烷-1-磺酰氯作为新型五氟磺酰化试剂的探索
IF 1.7 4区 化学
Journal of Fluorine Chemistry Pub Date : 2025-02-01 DOI: 10.1016/j.jfluchem.2024.110387
Laurianne Verret , Kelly Burchell-Reyes , Jean-François Morin , Jean-François Paquin
{"title":"Exploration of 2-(pentafluoro-λ6-sulfanyl)ethane-1-sulfonyl chloride as a novel pentafluorosulfanylation reagent","authors":"Laurianne Verret ,&nbsp;Kelly Burchell-Reyes ,&nbsp;Jean-François Morin ,&nbsp;Jean-François Paquin","doi":"10.1016/j.jfluchem.2024.110387","DOIUrl":"10.1016/j.jfluchem.2024.110387","url":null,"abstract":"<div><div>In this paper, we report our initial results on the development of 2-(pentafluoro-λ<sup>6</sup>-sulfanyl)ethane-1-sulfonyl chloride as a novel pentafluorosulfanylation reagent. The targeted reagent was synthesized in five steps from vinyl acetate. As opposed to gaseous SF<sub>5</sub>Cl, 2-(pentafluoro-λ<sup>6</sup>-sulfanyl)ethane-1-sulfonyl chloride is a liquid under ambient conditions. Its reaction with substituted-phenylvinyl acetates under photoredox catalysis provided the corresponding α-SF<sub>5</sub>-ketones in low to moderate yields due in part to an incomplete desulfonylation step. Nonetheless, these results serve as a promising starting point for the further development of pentafluorosulfanylation reagent.</div></div>","PeriodicalId":357,"journal":{"name":"Journal of Fluorine Chemistry","volume":"282 ","pages":"Article 110387"},"PeriodicalIF":1.7,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143152577","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Obituary “Professor Dr. Andreas Josef Kornath – May 6, 1965 — March 5, 2024”. 讣告“Andreas Josef Kornath教授博士- 1965年5月6日- 2024年3月5日”。
IF 1.7 4区 化学
Journal of Fluorine Chemistry Pub Date : 2025-01-01 DOI: 10.1016/j.jfluchem.2024.110385
Joseph S. Thrasher
{"title":"Obituary “Professor Dr. Andreas Josef Kornath – May 6, 1965 — March 5, 2024”.","authors":"Joseph S. Thrasher","doi":"10.1016/j.jfluchem.2024.110385","DOIUrl":"10.1016/j.jfluchem.2024.110385","url":null,"abstract":"","PeriodicalId":357,"journal":{"name":"Journal of Fluorine Chemistry","volume":"281 ","pages":"Article 110385"},"PeriodicalIF":1.7,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143100104","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
Solid-state chemistry of inorganic fluorides: From tungsten-bronze types to functionalized nanofluorides: A review 无机氟化物的固态化学：从钨青铜型到功能化纳米氟化物：综述
IF 1.7 4区 化学
Journal of Fluorine Chemistry Pub Date : 2025-01-01 DOI: 10.1016/j.jfluchem.2024.110374
Alain Tressaud
{"title":"Solid-state chemistry of inorganic fluorides: From tungsten-bronze types to functionalized nanofluorides: A review","authors":"Alain Tressaud","doi":"10.1016/j.jfluchem.2024.110374","DOIUrl":"10.1016/j.jfluchem.2024.110374","url":null,"abstract":"<div><div>Solid-state chemistry of inorganic fluorides has gained great importance in the second half of 20<sup>th</sup> century. It aims at identifying the relationships between the structural networks and the physical properties resulting from interactions within these networks. One of the most significant results was the discovery in the 1960s of series of A<sub>x</sub>MF<sub>3</sub> fluorides with structures similar to those of tungsten oxide bronzes. The investigation of other compounds mainly based on Al, Ga and transition metals with structures derived from ReO<sub>3</sub>, hexagonal tungsten bronze (HTB), tetragonal tungsten bronzes (TTB), defect pyrochlore and perovskite was soon launched in relation, in a first step, to their magnetic properties. Such interest was further extended to various properties such as positive electrodes in Li-ion batteries, UV absorbers, multiferroic components. Today, solid-state inorganic fluorides are present at the nano-sized level as components in many advanced technologies, including Li batteries or all solid-state fluorine batteries, micro- or nano-photonics, up- or down-conversion fluorescent probes, solid-state lasers, nonlinear optics, nuclear cycle, superhydrophobic coatings, etc. It has been pointed out that most of these outstanding properties can be correlated to the exceptional electronic properties of elemental fluorine, F<sub>2</sub>.</div><div>The aim of this article is to review the solid-state chemistry of fluorides having the formula A<sub>x</sub>MF<sub>3</sub> over several decades, from their discovery in the 1960s to the interesting physical-chemical properties more recently investigated on these phases that derive from the ReO<sub>3</sub>, perovskite, defect-pyrochlore, hexagonal- and tetragonal- tungsten bronze types.</div></div>","PeriodicalId":357,"journal":{"name":"Journal of Fluorine Chemistry","volume":"281 ","pages":"Article 110374"},"PeriodicalIF":1.7,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143171963","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Corrigendum to “Transformation of Fluorinated 1,2-Phenylenediamines in Polyphosphoric Acid medium with or without the Benzimidazole 2-Carboxylic Acid: Synthesis of Fluorinated 2,2′-Bibenzimidazoles and Phenazine-2,3-diamines” [Journal of Fluorine Chemistry, 2024, 277, 110313] “含或不含苯并咪唑2-羧酸的氟化1,2-苯二胺在多磷酸介质中的转化：氟化2,2 ' -双苯并咪唑和苯并咪唑-2,3-二胺的合成”的勘误[氟化学杂志，2024,277,110313]
IF 1.7 4区 化学
Journal of Fluorine Chemistry Pub Date : 2025-01-01 DOI: 10.1016/j.jfluchem.2024.110388
Jiayao Li , Vyacheslav I. Krasnov , Elena V. Karpova , Rodion V. Andreev , Inna K. Shundrina , IrinaYu Bagryanskaya , Galina A. Selivanova
{"title":"Corrigendum to “Transformation of Fluorinated 1,2-Phenylenediamines in Polyphosphoric Acid medium with or without the Benzimidazole 2-Carboxylic Acid: Synthesis of Fluorinated 2,2′-Bibenzimidazoles and Phenazine-2,3-diamines” [Journal of Fluorine Chemistry, 2024, 277, 110313]","authors":"Jiayao Li ,&nbsp;Vyacheslav I. Krasnov ,&nbsp;Elena V. Karpova ,&nbsp;Rodion V. Andreev ,&nbsp;Inna K. Shundrina ,&nbsp;IrinaYu Bagryanskaya ,&nbsp;Galina A. Selivanova","doi":"10.1016/j.jfluchem.2024.110388","DOIUrl":"10.1016/j.jfluchem.2024.110388","url":null,"abstract":"","PeriodicalId":357,"journal":{"name":"Journal of Fluorine Chemistry","volume":"281 ","pages":"Article 110388"},"PeriodicalIF":1.7,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143092394","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
Corrosion of iron in liquid uranium hexafluoride at 80 °C. Part II: Corrosion mechanism 铁在液态六氟化铀中80°C的腐蚀。第二部分：腐蚀机理
IF 1.7 4区 化学
Journal of Fluorine Chemistry Pub Date : 2025-01-01 DOI: 10.1016/j.jfluchem.2024.110373
Mickaël Achour , Laure Martinelli , Sylvie Chatain , Fréderic Miserque , Laurent Jouffret , Marc Dubois , Pierre Bonnet , Ania Selmi , Bertrand Morel , Sylvie Delpech
{"title":"Corrosion of iron in liquid uranium hexafluoride at 80 °C. Part II: Corrosion mechanism","authors":"Mickaël Achour ,&nbsp;Laure Martinelli ,&nbsp;Sylvie Chatain ,&nbsp;Fréderic Miserque ,&nbsp;Laurent Jouffret ,&nbsp;Marc Dubois ,&nbsp;Pierre Bonnet ,&nbsp;Ania Selmi ,&nbsp;Bertrand Morel ,&nbsp;Sylvie Delpech","doi":"10.1016/j.jfluchem.2024.110373","DOIUrl":"10.1016/j.jfluchem.2024.110373","url":null,"abstract":"<div><div>Thanks to species identification and growth interface localization experiments, a mechanism of iron corrosion in liquid UF<sub>6</sub> at 80 °C was suggested. After an UF<sub>6</sub> dissociation step, resulting fluorine (HF, F<sup>-</sup> or F•) was adsorbed at the FeF<sub>2</sub> external interface and diffused into the iron fluoride layer via fluorine vacancy. FeF<sub>2</sub> grew thus at the FeF<sub>2</sub>/Fe interface. Two FeF<sub>2</sub> growth kinetics were observed depending on the presence or absence of NO<sub>x</sub>F impurities. Both corrosion rates were controlled by the cathodic reaction and presence of NO<sub>x</sub>F catalysed it.</div></div>","PeriodicalId":357,"journal":{"name":"Journal of Fluorine Chemistry","volume":"281 ","pages":"Article 110373"},"PeriodicalIF":1.7,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143171964","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
Lipophilicity effects of monofluorination at the tertiary aliphatic carbon as a function of α-substituent 叔脂肪碳单氟化对α-取代基亲脂性的影响
IF 1.7 4区 化学
Journal of Fluorine Chemistry Pub Date : 2025-01-01 DOI: 10.1016/j.jfluchem.2024.110384
Kostiantyn P. Melnykov , Oleksandr S. Liashuk , Oleh Smyrnov , Dmytro Lesyk , Yuliia Holota , Petro Borysko , Viktor Yakubovskyi , Oleksandr O. Grygorenko
{"title":"Lipophilicity effects of monofluorination at the tertiary aliphatic carbon as a function of α-substituent","authors":"Kostiantyn P. Melnykov ,&nbsp;Oleksandr S. Liashuk ,&nbsp;Oleh Smyrnov ,&nbsp;Dmytro Lesyk ,&nbsp;Yuliia Holota ,&nbsp;Petro Borysko ,&nbsp;Viktor Yakubovskyi ,&nbsp;Oleksandr O. Grygorenko","doi":"10.1016/j.jfluchem.2024.110384","DOIUrl":"10.1016/j.jfluchem.2024.110384","url":null,"abstract":"<div><div>Effects of monofluorination at the tertiary aliphatic carbon on the compound's lipophilicity were measured for a series of model 4-substituted piperidine-derived benzamides. It was found that the observed ΔLog<em>P</em> values strongly depend on the nature of α-substituent present at the C-4 position. In particular, ΔLog<em>P</em> increased with increasing the substituent's electronegativity (as described by field effect). Using qualitative molecular electrostatic potential surface (MEPS) analysis, we suggested that the fluorine effect on the compound's lipophilicity in the studied systems is defined by electronic distribution modulation at the neighboring atoms (especially Hydrogens).</div></div>","PeriodicalId":357,"journal":{"name":"Journal of Fluorine Chemistry","volume":"281 ","pages":"Article 110384"},"PeriodicalIF":1.7,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143100105","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
Obituary “Friedhelm (Felix) Aubke” “讣告：弗里德赫尔姆（菲利克斯）奥布克”。
IF 1.7 4区 化学
Journal of Fluorine Chemistry Pub Date : 2025-01-01 DOI: 10.1016/j.jfluchem.2024.110383
{"title":"Obituary “Friedhelm (Felix) Aubke”","authors":"","doi":"10.1016/j.jfluchem.2024.110383","DOIUrl":"10.1016/j.jfluchem.2024.110383","url":null,"abstract":"","PeriodicalId":357,"journal":{"name":"Journal of Fluorine Chemistry","volume":"281 ","pages":"Article 110383"},"PeriodicalIF":1.7,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143171957","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
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