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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 Q3 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-10-01 DOI: 10.1016/j.jfluchem.2025.110480
Mohammad Rizehbandi, Behzad Khalili, Khatereh Ghauri
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.
本研究利用密度泛函理论(DFT)计算研究了四种新型重阴离子液体(DAILs)的性质,分别为[pmmim]2[TFTP]、[PMTA1]2[TFTP]、[PMTA2]2[TFTP]和[PMTTA]2[TFTP]。这些DAILs由四氟对苯二甲酸盐([TFTP]2-)离子和各种功能化的咪唑、三唑和四唑基阳离子组成,可以分析阳离子结构(特别是氮原子序数和位置)和氟化如何影响DAILs的稳定性、电子性能和电化学行为。该研究评估了能量、电子和热力学参数,以及静电势图和拓扑性质,以了解DAIL结构与其特性之间的关系。氟化碘离子表现出与阳离子的五元环相互作用的平面偏好。重要的是,氢键结合静电相互作用,极大地促进了这些dail的稳定性,并可能影响它们的物理化学性质和特定应用的适用性。在m06 - x2 - gd3 /AUG-cc-pVDZ理论水平上,DAILs最稳定构型的相互作用能在-235.82 ~ -269.36 kcal mol-1之间变化,并呈现如下递减趋势:[PMIM]2[TFTP] <; [PMTA1]2[TFTP] < [PMTA2]2[TFTP] < [PMTTA]2[TFTP] < [TFTP] 2[TFTP] < [PMTTA]2[TFTP]] TFTP。此外,HOMO-LUMO的能隙在6.49 ~ 7.38 eV之间,突出了该系列中显著的稳定性趋势。通过NBO分析得到的电荷转移值在0.2318 ~ 0.7307 a.u之间,再次证实了氢键的贡献。
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引用次数: 0
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 Q3 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-10-01 DOI: 10.1016/j.jfluchem.2025.110487
Craig Sommer, Dakota L. Leenstra, Ryan Fjordbotten, Douglas Turnbull, Stacey D. Wetmore, Michael Gerken
Lewis acid-base adducts of MOF4 (M = Mo or W) with 2,2′-bipyridine (bipy) and 1,10-phenanthroline (phen) were synthesized from their parent CH3CN adducts and the bases as insoluble off-white or yellow (MoOF4(bipy)) powders. Additionally, the adduct between WOF4 and 4,4′-di‑tert‑butyl‑2,2′-bipyridine (dtbipy) was synthesized in the same manner. The adducts were characterized by Raman and infrared spectroscopy and the vibrational assignment was aided by DFT calculations. DFT geometry optimizations of the adducts predict pentagonal bipyramidal structures with the bidentate bases coordinating in the equatorial plane. NBO analyses of the adducts were done to better understand the bonding as well as the stability of the heptacoordinated adducts.
以母体CH3CN加合物为原料,合成了MOF4 (M = Mo或W)与2,2′-联吡啶(bipy)和1,10-菲罗啉(phen)的Lewis酸碱加合物,制成不溶的灰白色或黄色(MoOF4(bipy))粉末。此外,以同样的方法合成了WOF4与4,4 ' -二叔丁基- 2,2 ' -联吡啶(dbipy)之间的加合物。用拉曼光谱和红外光谱对加合物进行了表征,并用DFT计算辅助进行了振动赋值。加合物的DFT几何优化预测了双齿基在赤道面协调的五边形双锥体结构。为了更好地了解七配位加合物的成键和稳定性,对加合物进行了NBO分析。
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引用次数: 0
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 Q3 CHEMISTRY, INORGANIC & NUCLEAR 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
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.
研究了γ辐照对工业乙烯-四氟乙烯(ETFE)共聚物辐照后热致发光和光致发光性能的影响。辐射热释光(RTL)曲线在77 ~ 400 K温度范围内表现出3个峰值:116 K时出现最强烈的峰值,168 K和210 K时出现另外两个峰值。这些最大值是由共聚物在77 K γ辐照期间积累的载流子重组引起的电子激发态的形成和随后的猝灭造成的。在300 K氙灯的光激发下,共聚物中形成的激子的辐射重组产生了光致发光。光致发光最大值出现在340 nm处,其强度随γ辐照剂量的增加而减小。γ辐照引起的结构缺陷和大分子交联作为非辐射激子重组的中心,从而降低了共聚物的辐照后发光强度。降解热力学的电子结构预测表明,在室温下,通过小不饱和分子或碳烯的损失来降解聚合物主链是不利的,但在γ辐照条件下是可能的。
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引用次数: 0
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 Q3 CHEMISTRY, INORGANIC & NUCLEAR 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
In this work, the Selectfluor-mediated transformation of cedrol and cedrene under the Ritter reaction conditions is presented for the first time. The possibility of the formation of acetamides, including fluorine-containing compounds, is shown. In the absence of Selectfluor, no amides are formed from cedrol under the conditions of the classical Ritter reaction and the only reaction product is cedrene.
本文首次报道了在Ritter反应条件下,选择性荧光介导的雪松醛和雪松醛的转化。显示了形成乙酰胺,包括含氟化合物的可能性。在没有选择性氟的情况下,在经典的里特反应条件下,雪松醛不能生成酰胺,唯一的反应产物是雪松醛。
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引用次数: 0
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 Q3 CHEMISTRY, INORGANIC & NUCLEAR 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
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 (p0) and spark discharge energy (Ed). It was found that the Ed for self-decomposition of R-1132(E) and its mixture depends on the p0 and there is the relationship of Ed ∝ 1/p02. The self-decomposition boundary (SDB) in Ed was increased with increasing discharge duration. The study of SDB in p0 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 p0 for any Ed.
反式-1,2-二氟乙烯(R-1132(E))与以前的制冷剂相比,具有超低的全球变暖潜能值(GWP),有望成为下一代制冷剂。然而,R-1132(E)在类似于四氟乙烯(TFE)和三氟乙烯(HFO-1123)的点火源存在下是不稳定和自分解的。本研究利用火花发生器对R-1132(E)及其混合物的自分解进行了研究,从初始气体压力(p0)和火花放电能量(Ed)两方面阐明了自分解极限条件。发现R-1132(E)及其混合物的自分解Ed依赖于p0,且存在Ed∝1/p0的关系。随着放电时间的延长,Ed的自分解边界(SDB)逐渐增大。对R-1132(E)与2,3,3,3-四氟丙烯(R-1234yf)混合后的SDB进行了研究,得到了R-1132(E)密度∝R-1234yf密度的关系。根据上述两种关系,可以预测任何Ed在p0中的SDB。
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引用次数: 0
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 Q3 CHEMISTRY, INORGANIC & NUCLEAR Pub 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
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.
三氟化氮(NF3)的全球变暖潜能值(GWP)为16,100,正越来越多地用于平板显示器、光伏、发光二极管(led)和其他微电子和半导体的制造,并且正在开发使用更少能源去除其以提高生产率的有效工艺。在本研究中,通过比较以注入氧气和蒸汽作为氧化剂的工艺,开发了一种微波等离子体炬提高NF3分解率的最佳工艺。与之前使用市售洗涤器的气体处理流量(氮气:250 L/min, NF3:5000 ppm)的方法相比,使用微波等离子体炬可以节省1000 J/L的能量。在优化工艺中,以蒸汽(6和10 g/min)作为氧化剂,消耗能量1000 J/L,至少使用5 kW的等离子体功率。在此条件下,废水的破坏和去除率(DREs)达到99%。为了理论验证,计算了NF3与氧气和蒸汽的化学反应速率,并与实验结果进行了比较。通过对比发现,蒸汽的化学反应速率高于氧气的化学反应速率,实验证实,当蒸汽作为氧化剂时,NF3的分解能耗低于氧气。
{"title":"Experimental and theoretical studies for optimization of NF3 removal from semiconductor processes using microwave plasma torch","authors":"J.H. Kim,&nbsp;C.H. Cho,&nbsp;I.J. Kang,&nbsp;J.K. Yang,&nbsp;H. Choi","doi":"10.1016/j.jfluchem.2025.110478","DOIUrl":"10.1016/j.jfluchem.2025.110478","url":null,"abstract":"<div><div>Nitrogen trifluoride (NF<sub>3</sub>), 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 NF<sub>3</sub> 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, NF<sub>3</sub>: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 &gt; 99 % were achieved. For theoretical verification, chemical reaction rates of NF<sub>3</sub> 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, NF<sub>3</sub> 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":"2025-09-10","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}
引用次数: 0
First-principles study of the adsorption performance of Pd-MoTe2 on decomposition products of perfluorohexanone fire extinguishing agents Pd-MoTe2对全氟己酮灭火剂分解产物吸附性能的第一性原理研究
IF 1.9 4区 化学 Q3 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-09-04 DOI: 10.1016/j.jfluchem.2025.110476
Jingjing Liu , Runlong Yang , Yang Li , Benli Liu , Ming Yang , Shuangshuang Tian
Perfluorohexanone (C6F12O) has been widely used in fire suppression systems for energy storage battery. However, toxic gases such as CO, CO2, HF, and COF2 produced during extinguishing process pose significant risks to human health and equipment safety, making it essential to monitor them. Recent studies show that metal-doped Transition Metal Dichalcogenides (TMDs) exhibit excellent gas adsorption properties, demonstrating great potential in gas sensing applications. To further explore this potential, Pd doped MoTe2 is selected in this paper, for which the doping process is simulated and the adsorption properties are systematically investigated. These configurations are analyzed using the Electron Localization Function (ELF), the Independent Gradient Model based on Hirshfeld partition (IGMH), and the Density of States (DOS). Finally, the gas sensing capabilities of Pd-MoTe2 are comprehensively evaluated to investigate its viability as a sensing material. The results reveal that Pd-MoTe2 exhibits strong adsorption for CO and COF2, with adsorption energies of -1.866 eV and -0.935 eV, respectively. Furthermore, the IGMH and ELF analyses confirm the existence of chemical bonding between the CO, COF2, and the Pd atoms. The DOS study further verifies the phenomenon of orbital hybridization. Additionally, the recovery time of Pd-MoTe2 requires high temperatures to release CO, but it is ideal for COF2, making it suitable for the adsorption of CO and the detection of COF₂. The results of this research can provide a theoretical foundation and data support for the application of Pd-MoTe2.
全氟己酮(c6f120)广泛应用于储能电池的灭火系统中。然而,灭火过程中产生的CO、CO2、HF和COF2等有毒气体对人类健康和设备安全构成重大风险,因此必须对其进行监测。近年来的研究表明,金属掺杂过渡金属二硫族化物(TMDs)具有优异的气体吸附性能,在气敏领域具有很大的应用潜力。为了进一步挖掘这一潜力,本文选择了Pd掺杂MoTe2,对掺杂过程进行了模拟,并系统地研究了其吸附性能。利用电子局域化函数(ELF)、基于Hirshfeld划分的独立梯度模型(IGMH)和态密度(DOS)对这些构型进行了分析。最后,对Pd-MoTe2的气体传感能力进行了综合评价,以考察其作为传感材料的可行性。结果表明,Pd-MoTe2对CO和COF2具有较强的吸附能力,吸附能分别为-1.866 eV和-0.935 eV。此外,IGMH和ELF分析证实了CO、COF2和Pd原子之间存在化学键。DOS研究进一步证实了轨道杂化现象。另外,Pd-MoTe2的回收时间需要较高的温度才能释放CO,但对COF2的回收时间较理想,适合CO的吸附和COF2的检测。本研究结果可为Pd-MoTe2的应用提供理论基础和数据支持。
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引用次数: 0
Discovery of novel fluorine modification of aryloxyacetic acid derivatives as 4-hydroxyphenylpyruvate dioxygenase inhibitors 新型氟修饰芳基乙酸衍生物作为4-羟基苯基丙酮酸双加氧酶抑制剂的发现
IF 1.9 4区 化学 Q3 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-08-29 DOI: 10.1016/j.jfluchem.2025.110464
Hao Huang , Jing Leng , Jie Xu , lei Zhou , Mingxing Li , Diandian Ni , Zhenzhong Ding , Xiaoyan Gao

Background

4-Hydroxyphenylpyruvate dioxygenase (HPPD) plays a crucial role in addressing issues related to plant protection research. To further our efforts in discovering new HPPD inhibitors, we adopted a bioisomerization strategy and designed a series of novel fluorinated aryloxyacetic acid scaffolds, building upon previously identified aryloxyacetic acid scaffolds. This study offers new insights into the discovery of innovative HPPD inhibitors. A series of novel HPPD inhibitor candidates (fluorinated derivatives of aryloxyacetic acids) were synthesized, and their activity was systematically evaluated using in vitro enzymatic methods and greenhouse experiments. Preliminary in vitro studies confirmed that these compounds effectively inhibit AtHPPD enzyme activity. Subsequent greenhouse experiments demonstrated that compounds 2,2-difluoro-1-(5‑hydroxy-1,3-dimethyl-1H-pyrazol-4-yl)-2-(4-phenoxyphenoxy) ethan-1-one and 2,2-difluoro-1-(5‑hydroxy-1,3-dimethyl-1H-pyrazol-4-yl)-2-(naphthalen-2-yloxy) ethan-1-one exhibited exceptional herbicidal activity against the tested weeds, outperforming Mesotrione under identical testing conditions. These findings suggest that fluorine-modified aryloxyacetic acid derivatives have the potential to serve as lead compounds in the development of HPPD inhibitors.
4-羟基苯基丙酮酸双加氧酶(HPPD)在植物保护研究中起着至关重要的作用。为了进一步发现新的HPPD抑制剂,我们采用了生物异构化策略,并在先前鉴定的芳基氧乙酸支架的基础上设计了一系列新的氟化芳基氧乙酸支架。这项研究为发现创新的HPPD抑制剂提供了新的见解。合成了一系列新的HPPD候选抑制剂(芳基氧乙酸的氟化衍生物),并利用体外酶法和温室实验系统地评价了它们的活性。初步体外实验证实,这些化合物能有效抑制AtHPPD酶活性。随后的温室实验表明,化合物2,2-二氟-1-(5 -羟基-1,3-二甲基- 1h -吡唑-4-基)-2-(4-phenoxyphenoxy) ethan-1- 1和2,2-二氟-1-(5 -羟基-1,3-二甲基- 1h -吡唑-4-基)-2-(萘-2-yloxy) ethan-1- 1对所测试的杂草具有特殊的除草活性,在相同的测试条件下优于Mesotrione。这些发现表明,氟修饰的芳基乙酸衍生物有潜力作为开发HPPD抑制剂的先导化合物。
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引用次数: 0
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 Q3 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-07-01 DOI: 10.1016/j.jfluchem.2025.110458
Weihao Li , Qiaoya Wang , Yanchen Zhou , Zuci Ke , Yuhui Niu , Weiwei Hou , Sheng Wang , Mingyou Hu
Fluorinated carboxylic acids play a crucial role in pharmaceuticals and agrochemicals. However, the common synthetic routes involving the hydrolysis of carboxylic acid esters often face challenges such as defluorination and decarboxylation. These obstacles are overcome by utilizing an acid hydrolysis approach, leading to the selective and effective synthesis of fluorinated carboxylic acids. This method is distinguished by its high efficiency (up to 92% yield), versatility across various substrates including α- and β-fluorinated phenylacetates and α-heteroaryl esters, complete retention of fluorine substituents (non-defluorinative) in fluorinated carboxylic acid esters. Moreover, this protocol ensures complete stereoretention for chiral α-trifluoromethyl carboxylic esters and non-fluorinated carboxylic esters, further highlighting its synthetic utility in asymmetric transformations.
氟化羧酸在药品和农用化学品中起着至关重要的作用。然而,涉及羧酸酯水解的常见合成路线往往面临诸如脱氟和脱羧等挑战。利用酸水解方法克服了这些障碍,导致选择性和有效地合成氟化羧酸。该方法的特点是效率高(产率高达92%),适用于各种底物,包括α-和β-氟化苯乙酸酯和α-杂芳基酯,氟取代基完全保留在氟化羧酸酯中(非脱氟)。此外,该方案确保手性α-三氟甲基羧酸酯和非氟化羧酸酯的完全立体保留,进一步突出了其在不对称转化中的合成效用。
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引用次数: 0
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 Q3 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-07-01 DOI: 10.1016/j.jfluchem.2025.110462
Versha Joshi , Durgesh Nandini , Roli Purwar
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.
全氟和多氟烷基化物质(PFASs)由于其独特的结构和非常规的性能而被广泛使用。由于其高持久性、毒性、生物蓄积性和在环境、生物群和人类中的广泛分布,遗留全氟辛烷磺酸的全球发生受到严重关注。随着常规全氟烷基磺酸受到管制,具有C4和C6疏水链长的短链全氟烷基羧酸盐或磺酸盐越来越多地被用作替代品。尽管短链替代品受到环保人士的密切关注,但它们在灭火方面无与伦比的表现使它们比其他同类产品更具优势。本文综述了相关两性离子氟表面活性剂的合成方法,特别是根据更新和更安全的设计,重点比较了与传统长链氟表面活性剂的表面性能。此外,它还包括新定制的氟化两性离子表面活性剂在消防泡沫领域的应用,与传统PFAS相比,其潜在的好处和不可替代的性能,包括评估其对生态和人类生活的环境影响。
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引用次数: 0
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Journal of Fluorine Chemistry
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