Pub Date : 2025-02-01DOI: 10.1016/j.jfluchem.2025.110401
Fatemeh Biniaz, Mohammad Reza Zardoost, Mohammad Reza Toosi
The ability of born nitride and carbon nanotubes to adsorb ClF3 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 ClF3 molecule. The adsorption of ClF3 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- ClF3 has the greatest adsorption energy. QTAIM calculations confirm the observed adsorption energies.
{"title":"New insights into the use of carbon and boron nitride nanotubes as sensors for ClF3: A density functional theory analysis","authors":"Fatemeh Biniaz, Mohammad Reza Zardoost, 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}
Pub Date : 2025-02-01DOI: 10.1016/j.jfluchem.2025.110397
Matheus P. Freitas
Cyclooctane and cyclodecane are important medium-size rings in organic chemistry, and fluorination can significantly modulate the properties of organic molecules, such as polarity, viscosity, and acidity. In this quantum-chemical study, two CF2 groups replaced the methylene moieties of the most stable conformations of cyclooctane (boat-chair) and cyclodecane (boat-chair-boat) to evaluate the effect of head, corner, and edge substitution on the energetics of the possible structures, including both constitutional and stereochemical-type isomers. It was found that CF2 groups prefer to occupy head (at C5) and corner positions of the cyclooctane ring rather than head (at C1) and edge positions, as these latter positions orient the fluorines endo, causing transannular repulsion. However, the 2,7 isomer, which possesses an edge CF2 group, is remarkably stable due to an unprecedented transannular hydrogen bond between hydrogen at C3 and the CF2 at C7. Similar findings were obtained for the cyclodecane derivatives, indicating that fluorination is preferable in certain positions due to steric and strain relief, while the transannular hydrogen bond also plays a secondary role as a source of stabilization. Given the CF2 groups' ability to order the conformation of these medium-size rings, fluorination may be utilized in systems where this property is required, such as in liquid crystals.
{"title":"Regio- and stereochemical behavior of cyclooctane and cyclodecane derivatives containing CF2 moieties","authors":"Matheus P. Freitas","doi":"10.1016/j.jfluchem.2025.110397","DOIUrl":"10.1016/j.jfluchem.2025.110397","url":null,"abstract":"<div><div>Cyclooctane and cyclodecane are important medium-size rings in organic chemistry, and fluorination can significantly modulate the properties of organic molecules, such as polarity, viscosity, and acidity. In this quantum-chemical study, two CF<sub>2</sub> groups replaced the methylene moieties of the most stable conformations of cyclooctane (boat-chair) and cyclodecane (boat-chair-boat) to evaluate the effect of head, corner, and edge substitution on the energetics of the possible structures, including both constitutional and stereochemical-type isomers. It was found that CF<sub>2</sub> groups prefer to occupy head (at C5) and corner positions of the cyclooctane ring rather than head (at C1) and edge positions, as these latter positions orient the fluorines <em>endo</em>, causing transannular repulsion. However, the <strong>2,7</strong> isomer, which possesses an edge CF<sub>2</sub> group, is remarkably stable due to an unprecedented transannular hydrogen bond between hydrogen at C3 and the CF<sub>2</sub> at C7. Similar findings were obtained for the cyclodecane derivatives, indicating that fluorination is preferable in certain positions due to steric and strain relief, while the transannular hydrogen bond also plays a secondary role as a source of stabilization. Given the CF<sub>2</sub> groups' ability to order the conformation of these medium-size rings, fluorination may be utilized in systems where this property is required, such as in liquid crystals.</div></div>","PeriodicalId":357,"journal":{"name":"Journal of Fluorine Chemistry","volume":"282 ","pages":"Article 110397"},"PeriodicalIF":1.7,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143152575","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}
Pub Date : 2025-02-01DOI: 10.1016/j.jfluchem.2025.110398
Ana R.L. Araujo , Anton Pavlov , Jon Eigil Johansen , Sicco Brandsma , Huiling Liu
PFAS, or per- and polyfluorinated alkyl substances, are among the most prevalent environmental contaminants. Because of their toxicity and widespread use, these substances must be regulated in order to reduce the associated hazards. Effective regulation requires accurate measurement of PFAS concentrations, but the lack of commercially available reference standards hinders the identification and quantification of novel PFAS discovered through nontarget analysis techniques. In this work, we aimed to fill this gap by synthetising new PFAS reference standards, based on findings reported in the literature through nontarget assays.
We performed the synthesis of 17 novel PFAS reference standards, including three fluorotelomer thioether amido sulfonic acid (FTSASs), three fluorotelomer sulfonyl amido sulfonic acid (FtSO2AoS), 6:2 Fluorotelomer sulfinyl amido sulfonic acid (6:2 FtSOAo), three perfluoroalkane sulfonamide diacetic acids (FASEE diacids), three perfluroalkyl amidoalkyl amine (PFAAAm), perfluoro (4-methyl-3,6-dioxaoct-7-ene) sodium sulfonate (PS acid sodium salt), perfluoro (4-methyl-3,6-dioxaoct-7-ene) sulfonic acid (PS acid), perfluoro-3-{ [1-(ethenyloxy)propan-2-yl]oxy}propanoic acid (EVE acid), and 6- (2,2,3,3,4,4,4-Heptafluorobutoxy)hexan-1-ol. Various chemical reactions were carried out to synthesise the chemicals, and the Dry Column Vacuum Chromatography (DCVC) was selected as the best purification technique. The linear isomer product was obtained by recrystallisation when branched isomers were present. The identity and purity of the synthesised reference standards were confirmed using a combination of NMR spectroscopy (¹H, ¹⁹F, ¹³C) and mass spectrometry (m/z, LC-MS, or GC–MS).
{"title":"Synthesis, purification and characterisation of novel PFAS following nontarget analysis","authors":"Ana R.L. Araujo , Anton Pavlov , Jon Eigil Johansen , Sicco Brandsma , Huiling Liu","doi":"10.1016/j.jfluchem.2025.110398","DOIUrl":"10.1016/j.jfluchem.2025.110398","url":null,"abstract":"<div><div>PFAS, or per- and polyfluorinated alkyl substances, are among the most prevalent environmental contaminants. Because of their toxicity and widespread use, these substances must be regulated in order to reduce the associated hazards. Effective regulation requires accurate measurement of PFAS concentrations, but the lack of commercially available reference standards hinders the identification and quantification of novel PFAS discovered through nontarget analysis techniques. In this work, we aimed to fill this gap by synthetising new PFAS reference standards, based on findings reported in the literature through nontarget assays.</div><div>We performed the synthesis of 17 novel PFAS reference standards, including three fluorotelomer thioether amido sulfonic acid (FTSASs), three fluorotelomer sulfonyl amido sulfonic acid (FtSO2AoS), 6:2 Fluorotelomer sulfinyl amido sulfonic acid (6:2 FtSOAo), three perfluoroalkane sulfonamide diacetic acids (FASEE diacids), three perfluroalkyl amidoalkyl amine (PFAAAm), perfluoro (4-methyl-3,6-dioxaoct-7-ene) sodium sulfonate (PS acid sodium salt), perfluoro (4-methyl-3,6-dioxaoct-7-ene) sulfonic acid (PS acid), perfluoro-3-{ [1-(ethenyloxy)propan-2-yl]oxy}propanoic acid (EVE acid), and 6- (2,2,3,3,4,4,4-Heptafluorobutoxy)hexan-1-ol. Various chemical reactions were carried out to synthesise the chemicals, and the Dry Column Vacuum Chromatography (DCVC) was selected as the best purification technique. The linear isomer product was obtained by recrystallisation when branched isomers were present. The identity and purity of the synthesised reference standards were confirmed using a combination of NMR spectroscopy (¹H, ¹⁹F, ¹³C) and mass spectrometry (m<em>/z</em>, LC-MS, or GC–MS).</div></div>","PeriodicalId":357,"journal":{"name":"Journal of Fluorine Chemistry","volume":"282 ","pages":"Article 110398"},"PeriodicalIF":1.7,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143152576","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}
Pub Date : 2025-02-01DOI: 10.1016/j.jfluchem.2025.110402
Ekaterina N. Kudryavtseva, Boris V. Lichitsky, Evgeny V. Tretyakov
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[a]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.
{"title":"Investigation of the reaction of hexafluoro-1,4-naphthoquinone with substituted phenols","authors":"Ekaterina N. Kudryavtseva, Boris V. Lichitsky, 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}
Pub Date : 2025-02-01DOI: 10.1016/j.jfluchem.2025.110403
Karolina Paszek, Henryk Koroniak, Katarzyna Koroniak–Szejn
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, in vivo 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(sp2)–CF3 bond. The trifluoromethyl alkyl group structure helps the peptide maintain its original β-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.
{"title":"Introducing CF3 group at alkenyl C=C bond. Recent developments","authors":"Karolina Paszek, Henryk Koroniak, 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}
In this paper, we report our initial results on the development of 2-(pentafluoro-λ6-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 SF5Cl, 2-(pentafluoro-λ6-sulfanyl)ethane-1-sulfonyl chloride is a liquid under ambient conditions. Its reaction with substituted-phenylvinyl acetates under photoredox catalysis provided the corresponding α-SF5-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.
{"title":"Exploration of 2-(pentafluoro-λ6-sulfanyl)ethane-1-sulfonyl chloride as a novel pentafluorosulfanylation reagent","authors":"Laurianne Verret , Kelly Burchell-Reyes , Jean-François Morin , 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}
Pub Date : 2025-01-01DOI: 10.1016/j.jfluchem.2024.110374
Alain Tressaud
Solid-state chemistry of inorganic fluorides has gained great importance in the second half of 20th 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 AxMF3 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 ReO3, 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, F2.
The aim of this article is to review the solid-state chemistry of fluorides having the formula AxMF3 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 ReO3, perovskite, defect-pyrochlore, hexagonal- and tetragonal- tungsten bronze types.
{"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}
Pub Date : 2025-01-01DOI: 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}
Pub Date : 2025-01-01DOI: 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 , Vyacheslav I. Krasnov , Elena V. Karpova , Rodion V. Andreev , Inna K. Shundrina , IrinaYu Bagryanskaya , 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}
Thanks to species identification and growth interface localization experiments, a mechanism of iron corrosion in liquid UF6 at 80 °C was suggested. After an UF6 dissociation step, resulting fluorine (HF, F- or F•) was adsorbed at the FeF2 external interface and diffused into the iron fluoride layer via fluorine vacancy. FeF2 grew thus at the FeF2/Fe interface. Two FeF2 growth kinetics were observed depending on the presence or absence of NOxF impurities. Both corrosion rates were controlled by the cathodic reaction and presence of NOxF catalysed it.
{"title":"Corrosion of iron in liquid uranium hexafluoride at 80 °C. Part II: Corrosion mechanism","authors":"Mickaël Achour , Laure Martinelli , Sylvie Chatain , Fréderic Miserque , Laurent Jouffret , Marc Dubois , Pierre Bonnet , Ania Selmi , Bertrand Morel , 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}
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