Chemistry - An Asian Journal最新文献

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Naphthalene Diimide-Diketopyrrolopyrrole Polymer Composites (DPP-NDI-T2/MWCNT) as High-Voltage Symmetric Supercapacitor Electrodes 二亚胺-二酮吡咯聚合物复合材料(DPP-NDI-T2/MWCNT)作为高压对称超级电容器电极。
IF 3.2 3区 化学
Chemistry - An Asian Journal Pub Date : 2026-11-05 DOI: 10.1002/asia.71045
Nitin V. Dalvi, Swati Dilwale, Sarika Sasidharan, Athira Babu, Radhakisan Kargude, Sreekumar Kurungot, Asha Syamakumari
{"title":"Naphthalene Diimide-Diketopyrrolopyrrole Polymer Composites (DPP-NDI-T2/MWCNT) as High-Voltage Symmetric Supercapacitor Electrodes","authors":"Nitin V. Dalvi,&nbsp;Swati Dilwale,&nbsp;Sarika Sasidharan,&nbsp;Athira Babu,&nbsp;Radhakisan Kargude,&nbsp;Sreekumar Kurungot,&nbsp;Asha Syamakumari","doi":"10.1002/asia.71045","DOIUrl":"10.1002/asia.71045","url":null,"abstract":"<div>\u0000 \u0000 <p>We report the synthesis of donor–acceptor π-conjugated polymer composites based on naphthalene diimide (NDI) and diketopyrrolopyrrole (DPP) (DPP-NDI-T2/MWCNT) for high-voltage symmetric supercapacitor applications. DPP-NDI-T2 copolymers were synthesized by Stille polymerization and doped with varying loadings of multiwalled carbon nanotube (MWCNT). By varying the NDI:DPP feed ratio from 15 to 50 mol%, three copolymers (<b>P1</b>, <b>P2</b>, and <b>P3</b>) were obtained. Polymer <b>P3</b> was further fabricated into composites containing 20% (<b>C1</b>), 35% (<b>C2</b>), and 50% (<b>C3</b>) MWCNT. These composites exhibited significantly improved conductivity, surface area, and porosity, with the 35% MWCNT composite (<b>C2</b>) delivering a high specific capacitance of 304.2 F g<sup>−</sup><sup>1</sup> at 1.0 A g<sup>−</sup><sup>1</sup> in a three-electrode assembly. The symmetric device C2||C2 in 1 M LiClO<sub>4</sub> shows the capacitance of 102.8 F g<sup>−</sup><sup>1</sup> at 1.0 A g<sup>−</sup><sup>1</sup> with the wide voltage window of 3.0 V (0 to 3 V) and the ultra-high cycling stability over 100,000 charge–discharge cycles with capacitance retention of 98.4%, high power and energy density of 1500 W kg<sup>−</sup><sup>1</sup> and 32.1 Wh kg<sup>−</sup><sup>1</sup>, respectively. These results demonstrate the strong potential of conjugated composite polymer for next-generation high-performance energy storage devices.</p>\u0000 </div>","PeriodicalId":145,"journal":{"name":"Chemistry - An Asian Journal","volume":"21 21","pages":""},"PeriodicalIF":3.2,"publicationDate":"2026-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149331830","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Two-Bromoaryl-para-Quinone Methide: A Versatile Synthon for Carbocycles and Heterocycles 二溴芳基对醌甲:碳环和杂环的通用合成物。
IF 3.2 3区 化学
Chemistry - An Asian Journal Pub Date : 2026-11-05 DOI: 10.1002/asia.71039
Priyanka Saikia, Sumanta Sarkar, Pranjal Gogoi
{"title":"Two-Bromoaryl-para-Quinone Methide: A Versatile Synthon for Carbocycles and Heterocycles","authors":"Priyanka Saikia,&nbsp;Sumanta Sarkar,&nbsp;Pranjal Gogoi","doi":"10.1002/asia.71039","DOIUrl":"10.1002/asia.71039","url":null,"abstract":"<div>\u0000 \u0000 <p><i>para-</i>Quinone Methides (<i>p</i>-QMs) are versatile reactive intermediates widely used in organic synthesis, particularly undergoing 1,6-Michael addition leading to the formation of complex organic frameworks. Over the years, numerous reactive partners associated with <i>p</i>-QMs, such as 2-hydroxyphenyl-, <i>o</i>-tosylaminophenyl-, and 1,5-enyne-substituted <i>p</i>-QMs, have been developed to access the core structures of a broad range of natural products and bioactive molecules. In contrast, <i>p</i>-QMs associated with haloarenes, particularly the 2-bromoaryl-substituted <i>para</i>-quinone methides, have also emerged as valuable synthons in organic synthesis; however, their reactivity and synthetic applications have not been comprehensively summarized. Therefore, this review systematically summarizes recent advances in the synthetic utilities of 2-bromoaryl-substituted <i>para</i>-quinone methides, with an emphasis on their reactivity under various reaction conditions, mechanistic insights, and substrate scope. Additionally, it summarizes the key transformations enabled by transition-metal catalysis and highlights their scope for C─C and C-heteroatom bond construction. Moreover, the future prospects and limitations of 2-bromoaryl-substituted <i>para</i>-quinone methide are also outlined.</p>\u0000 </div>","PeriodicalId":145,"journal":{"name":"Chemistry - An Asian Journal","volume":"21 21","pages":""},"PeriodicalIF":3.2,"publicationDate":"2026-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149339963","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Post Synthetic Conversion of a Cross-Conjugated Doubly N-Confused Porphyrinoid to the (Anti) Aromatic Analogues and an Organopalladium(IV) Complex 交叉共轭双n混淆卟啉类化合物合成后转化为(反)芳香族类似物和有机钯(IV)配合物。
IF 3.2 3区 化学
Chemistry - An Asian Journal Pub Date : 2026-11-04 DOI: 10.1002/asia.71032
Anirban Panua, Gunasekaran Velmurugan, Peter Comba, Harapriya Rath
{"title":"Post Synthetic Conversion of a Cross-Conjugated Doubly N-Confused Porphyrinoid to the (Anti) Aromatic Analogues and an Organopalladium(IV) Complex","authors":"Anirban Panua,&nbsp;Gunasekaran Velmurugan,&nbsp;Peter Comba,&nbsp;Harapriya Rath","doi":"10.1002/asia.71032","DOIUrl":"10.1002/asia.71032","url":null,"abstract":"<div>\u0000 \u0000 <p>Controlled oxidation strategy has enabled the clean transformation of a cross-conjugated doubly N-confused porphyrinoid into two hitherto unknown fully (anti)aromatic analogues. Oxidation with chloranil selectively installs carbonyl functionality at the N-confused pyrrole unit, generating an 18π aromatic macrocycle (<b>8</b>) that is stable in the free-base state and structurally authenticated by x-ray diffraction, while DDQ oxidized tri-oxo analogue <b>9</b> is antiaromatic. The restored π-conjugation of <b>8</b> not only produces characteristic vis–NIR absorption features but also renders the macrocycle competent to stabilize a formally square-planar Pd(IV) center, affording the organometallic complex <b>10</b> in high yield. Porphyrinoid <b>9</b> remained unsusceptible to Pd metallation. Detailed spectroscopic characterization, supported by DFT calculations, confirms excellent agreement between experimental and computed structural, electronic, and optical properties. The conversion from a cross-conjugated porphyrin to an aromatic framework, and its subsequent metalation, demonstrates a robust approach for accessing new N-confused porphyrinoid architectures with tunable π -aromaticity.</p>\u0000 </div>","PeriodicalId":145,"journal":{"name":"Chemistry - An Asian Journal","volume":"21 21","pages":""},"PeriodicalIF":3.2,"publicationDate":"2026-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149331831","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Synthesis and Unusual Supramolecular Self-Assembly Behavior of Benzoperylene Imides and Thioimides 苯并苝酰亚胺和硫代亚胺的合成及其异常超分子自组装行为。
IF 3.2 3区 化学
Chemistry - An Asian Journal Pub Date : 2026-11-04 DOI: 10.1002/asia.71023
Akash Shamrao Nandgaye, Aditya Chandrakant Yadav, Kotagiri Venkata Rao
{"title":"Synthesis and Unusual Supramolecular Self-Assembly Behavior of Benzoperylene Imides and Thioimides","authors":"Akash Shamrao Nandgaye,&nbsp;Aditya Chandrakant Yadav,&nbsp;Kotagiri Venkata Rao","doi":"10.1002/asia.71023","DOIUrl":"10.1002/asia.71023","url":null,"abstract":"<div>\u0000 \u0000 <p>We report the synthesis of two new thionated benzoperylene imide-based large rigid π-systems with tunable optical properties. UV-Vis absorption and fluorescence spectroscopy studies indicate that thionation significantly improves the absorption in longer wavelengths and quenches fluorescence. Interestingly, these molecules show unusual supramolecular self-assembly behavior in water-dioxane solvent mixtures. In dioxane, benzoperylene imides and thioimides exist as monomers and self-assemble when the water volume percentage is more than 40%. Surprisingly, with less vol% of poor solvent (water) in good solvent, long and crystalline supramolecular self-assemblies are formed, whereas shorter and amorphous supramolecular self-assemblies are obtained at higher vol% of water in dioxane. Our investigations reveal the involvement of the nucleation-elongation mechanism during self-assembly of benzoperylene imides. Using various spectroscopy and microscopy methods, we found that variations in the kinetics of the nucleation elongation process due to changes in the solvent composition are the major reasons for this unusual behavior.</p>\u0000 </div>","PeriodicalId":145,"journal":{"name":"Chemistry - An Asian Journal","volume":"21 21","pages":""},"PeriodicalIF":3.2,"publicationDate":"2026-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149331832","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Multichromophoric Cyclotriphosphazene Architecture: Integrating Phenothiazine and Phenylhydrazone Frameworks for Tunable Optoelectronic Properties 多色环三磷腈结构:整合吩噻嗪和苯腙框架可调谐光电性能。
IF 3.2 3区 化学
Chemistry - An Asian Journal Pub Date : 2026-11-04 DOI: 10.1002/asia.71036
Dinesh Kumar Chelike, Ananthanarayanan Krishnamoorthy, Senthil A. Gurusamy Thangavelu
{"title":"Multichromophoric Cyclotriphosphazene Architecture: Integrating Phenothiazine and Phenylhydrazone Frameworks for Tunable Optoelectronic Properties","authors":"Dinesh Kumar Chelike,&nbsp;Ananthanarayanan Krishnamoorthy,&nbsp;Senthil A. Gurusamy Thangavelu","doi":"10.1002/asia.71036","DOIUrl":"10.1002/asia.71036","url":null,"abstract":"<div>\u0000 \u0000 <p>We report the synthesis, characterization, and photophysics of an unprecedented hybrid inorganic-organic hydrazone Schiff base, CTP-π-PTZ, featuring a central cyclotriphosphazene (CTP) ring linked to six phenothiazine (PTZ) units through aminobenzoate (PABE) aromatic spacers. Nucleophilic substitution of six PABE units onto the CTP ring yielded an aromatic ester intermediate, which was converted into a hydrazide and subsequently condensed with six equivalents of phenothiazine aldehyde (R–PTZ–CHO) to afford the target hexakis Schiff base assembly, CTP-π-PTZ. To evaluate the impact of the CTP core on photophysical properties, a CTP-free control Schiff base (SB–PTZ) was also synthesized. Compared to SB–PTZ, the hybrid CTP-π-PTZ exhibited a hypsochromic (blue) shift in absorption alongside a bathochromic (red) shift in its broad emission profile, highlighting the influence of the central inorganic core. Thermogravimetric analysis (TGA) confirmed high thermal stability for CTP-π-PTZ, while solvatochromic photoluminescence studies demonstrated pronounced intramolecular charge transfer (ICT) dynamics. The molecular structures, photophysical, and electrochemical properties were comprehensively characterized using FT–IR, multinuclear NMR (<sup>31</sup>P, <sup>1</sup>H, and <sup>13</sup>C), ESI-HRMS, cyclic voltammetry, UV–vis spectroscopy, photoluminescence, and time-resolved photoluminescence studies.</p>\u0000 </div>","PeriodicalId":145,"journal":{"name":"Chemistry - An Asian Journal","volume":"21 21","pages":""},"PeriodicalIF":3.2,"publicationDate":"2026-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149331829","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
ZrO2-Based Nanomaterials for Sustainable Energy and Environmental Applications: Green Synthesis, Structure–Property Relationships, Functional Mechanisms, and Future Perspectives 基于zro2的可持续能源和环境应用纳米材料:绿色合成、结构-性能关系、功能机制和未来展望。
IF 3.2 3区 化学
Chemistry - An Asian Journal Pub Date : 2026-11-04 DOI: 10.1002/asia.71028
Hasan Mahmud Chowdhury, Md. Shahriar Ahmed, Abrar Yasir Abir, Md. Saiful Alam, Mahfuz Rana, Rasel Ahmed Khan, Mahmood D. Aljabri, Mohammed Muzibur Rahman
{"title":"ZrO2-Based Nanomaterials for Sustainable Energy and Environmental Applications: Green Synthesis, Structure–Property Relationships, Functional Mechanisms, and Future Perspectives","authors":"Hasan Mahmud Chowdhury,&nbsp;Md. Shahriar Ahmed,&nbsp;Abrar Yasir Abir,&nbsp;Md. Saiful Alam,&nbsp;Mahfuz Rana,&nbsp;Rasel Ahmed Khan,&nbsp;Mahmood D. Aljabri,&nbsp;Mohammed Muzibur Rahman","doi":"10.1002/asia.71028","DOIUrl":"10.1002/asia.71028","url":null,"abstract":"<div>\u0000 \u0000 <p>Zirconium oxide (ZrO<sub>2</sub>) nanoparticles and nanocomposites have emerged as multifunctional materials owing to their thermal stability, chemical inertness, high surface activity, tunable polymorphism, biocompatibility, and catalytic performance. These properties make ZrO<sub>2</sub>-based nanomaterials attractive for sustainable energy technologies and environmental remediation. However, conventional synthesis routes, including hydrothermal, sol–gel, solvothermal, spray pyrolysis, laser ablation, and arc-discharge methods, often require hazardous reagents, costly precursors, high temperature and pressure, long reaction times, and complex equipment. Consequently, eco-friendly synthesis has become an important strategy for producing ZrO<sub>2</sub> nanomaterials with lower environmental impact. This review critically summarizes recent progress in ZrO<sub>2</sub> nanoparticles and nanocomposites, with emphasis on green and plant-mediated synthesis routes. Plant extracts contain polyphenols, flavonoids, tannins, proteins, amino acids, sugars, and related biomolecules that can serve as reducing, chelating, capping, and stabilizing agents during nanoparticle formation. The review discusses structural features, phase behavior, synthesis strategies, and proposed phytochemical-assisted formation mechanisms of ZrO<sub>2</sub> based nanomaterials. Recent applications in lithium-ion batteries, supercapacitors, solar cells, fuel cells, photocatalytic degradation, adsorption, antibacterial treatment, and pollutant removal are critically examined, focusing on ion transport, electrode stability, interfacial charge transfer, catalytic activity, and wastewater treatment performance. Finally, key challenges and future directions are outlined, including mechanistic understanding, reproducibility, scalability, real-sample validation, toxicity assessment, reusability, and standardized performance evaluation. This review highlights the potential of green ZrO<sub>2</sub>-based nanomaterials for sustainable energy and clean-water technologies.</p>\u0000 </div>","PeriodicalId":145,"journal":{"name":"Chemistry - An Asian Journal","volume":"21 21","pages":""},"PeriodicalIF":3.2,"publicationDate":"2026-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149331833","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Synergistic Effects of Coordination Environments and Scaffold Rigidity on the Reactivity of Tripodal Bismuth(III) Complexes: A Computational Study 配位环境和支架刚度对三足铋(III)配合物反应性的协同效应:计算研究
IF 3.2 3区 化学
Chemistry - An Asian Journal Pub Date : 2026-11-03 DOI: 10.1002/asia.71035
Jyoti Sharma, Soumya R. Dash, Suman K. Mandal, Kumar Vanka
{"title":"Synergistic Effects of Coordination Environments and Scaffold Rigidity on the Reactivity of Tripodal Bismuth(III) Complexes: A Computational Study","authors":"Jyoti Sharma,&nbsp;Soumya R. Dash,&nbsp;Suman K. Mandal,&nbsp;Kumar Vanka","doi":"10.1002/asia.71035","DOIUrl":"https://doi.org/10.1002/asia.71035","url":null,"abstract":"<div>\u0000 \u0000 <p>In this work, we have computationally investigated a series of tripodal Bi(III) complexes to understand how primary coordination site donor variation and secondary support from the ligand scaffold control Bi centered electrophilicity and metal ligand cooperativity. The results show that no single descriptor of electrophilicity is sufficient to explain reactivity toward H<sub>2</sub>O, NH<sub>3</sub>, and H<sub>2</sub>. Instead, bond activation reflects a balance between Bi-centered Lewis acidity, accessibility and directionality of the electrophilic site, covalency of Bi─X (X = donor atom coordination site), secondary scaffold support, and reorganizability. Geometrically defined, substrate-accessible σ-holes are identified for <b>3</b> and <b>3′</b> (X═O), while the remaining complexes are better described in terms of general Bi-centered Lewis acidity. Energy decomposition analysis further reveals that strongly stabilizing substrate–complex interactions can be offset by substantial deformation penalties. A key finding is that replacing the lone pair donating N-anchored scaffold (<b>1</b>-<b>3</b>) with a π-donating phenyl anchored scaffold (<b>1'</b> - <b>3'</b>) lowers the barriers for the nitrogen and oxygen coordinating donor systems. In contrast, the nitroxide based phenyl anchored complex shows increased barriers because the Bi center becomes least accessible. Somewhat surprisingly, <b>1’</b> (X = N) exhibits a kinetically accessible H<sub>2</sub> activation barrier. Our calculations also identify phenyl anchored tripodal ligands as promising secondary π-donor scaffolds.</p>\u0000 </div>","PeriodicalId":145,"journal":{"name":"Chemistry - An Asian Journal","volume":"21 21","pages":""},"PeriodicalIF":3.2,"publicationDate":"2026-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149311222","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Electronic Effect and Key Intermediates in Electrochemical Ammonia Oxidation With Mn-Salen Complexes. Mn-Salen络合物在电化学氨氧化中的电子效应和关键中间体。
IF 3.2 3区 化学
Chemistry - An Asian Journal Pub Date : 2026-11-01 DOI: 10.1002/asia.71047
Akanksha Negi, Anindita Bhar, Shiwangi Singh, Biswajit Mondal
{"title":"Electronic Effect and Key Intermediates in Electrochemical Ammonia Oxidation With Mn-Salen Complexes.","authors":"Akanksha Negi, Anindita Bhar, Shiwangi Singh, Biswajit Mondal","doi":"10.1002/asia.71047","DOIUrl":"https://doi.org/10.1002/asia.71047","url":null,"abstract":"<p><p>Ammonia (NH<sub>3</sub>) has emerged as a promising carbon-free fuel and hydrogen carrier, offering a potential solution to meet growing global energy demands. In this study, we investigate the role of ligand electronic effects in a series of Mn-salen electrocatalysts for the ammonia oxidation reaction (AOR) in nonaqueous media. Our results reveal that electron-withdrawing substituents promote an earlier onset potential and enhanced catalytic activity. A high-valent nitrido-manganese (V) salen species is identified as a key reaction intermediate through mass spectrometry during electrolysis, which undergoes nucleophilic attack by NH<sub>3</sub> under oxidative conditions to produce nitrogen (N<sub>2</sub>). We also examined how solvent and electron-transfer redox mediators affect the reaction. While the solvent shows no significant impact on catalytic performance, the use of a mediator markedly enhances reaction kinetics. Furthermore, the salen catalyst was evaluated for AOR in aqueous conditions, demonstrating an onset potential of 1.65 V versus RHE along with appreciable Faradaic efficiencies for N<sub>2</sub> and H<sub>2</sub> production of 93.6% ± 4.5% and 98.9% ± 1.7%, respectively, making it one of the few examples of selective AOR in aqueous medium.</p>","PeriodicalId":145,"journal":{"name":"Chemistry - An Asian Journal","volume":"21 21","pages":""},"PeriodicalIF":3.2,"publicationDate":"2026-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149369740","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Carbonyl Phosphorylation-Mediated Selective Organophosphate Detection With Rhodamine-Based Probes: Effect of Electronic Nature of the Substituents on Chemosensing Parameters. 基于罗丹明的探针羰基磷酸化介导的选择性有机磷酸盐检测:取代基电子性质对化学传感参数的影响。
IF 3.2 3区 化学
Chemistry - An Asian Journal Pub Date : 2026-11-01 DOI: 10.1002/asia.71048
Prasant Behera, Kanhu Charan Behera, Braja Narayan Patra, Bamaprasad Bag
{"title":"Carbonyl Phosphorylation-Mediated Selective Organophosphate Detection With Rhodamine-Based Probes: Effect of Electronic Nature of the Substituents on Chemosensing Parameters.","authors":"Prasant Behera, Kanhu Charan Behera, Braja Narayan Patra, Bamaprasad Bag","doi":"10.1002/asia.71048","DOIUrl":"https://doi.org/10.1002/asia.71048","url":null,"abstract":"<p><p>In a pursuit of the development of an analytically feasible, uncomplicated, and cost-effective method for the selective and sensitive detection of organophosphates, three rhodamine 6G derivatives (1--3) were developed, and their photophysical signaling responses were evaluated in the presence of different organophosphate-based pesticide analytes. These probes, structurally differing in their attached substituents coupled to the hydrazide unit at the spiro-cyclic core, have exhibited chromogenic and fluorogenic dual-channel 'turn-on' photophysical signaling responses in the selective presence of Diethyl chlorophosphate (DCP), where the spiro-ring opening corresponded to an adduct formation through phosphorylation at their carbonyl O<sub>spiro</sub>-nucleophillic center. The photophysical evaluations inferred to their selectivity toward DCP, sensitivity, interaction affinity, response time of opening of the spiro-ring, reversibility in signals, and other parameters of efficient DCP detection. The chemosensing parameters were estimated in the 2> 1> 3 probe order; that is, the probe incorporating an electron-donating substituent (as in 2) exhibited higher chemosensing parameters, in comparison to that containing an electron-withdrawing (as in 3) or -H (as in 1) as substituents. The theoretical calculations for the structural elucidation of these probes and their diethyl phosphate adducts are in good agreement with the observed photophysical signaling responses.</p>","PeriodicalId":145,"journal":{"name":"Chemistry - An Asian Journal","volume":"21 21","pages":""},"PeriodicalIF":3.2,"publicationDate":"2026-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149369739","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Mechanistic and Kinetic Insights Into the Reaction of HFO-1234ze with Cl Atoms and O3 Molecules. HFO-1234ze与Cl原子和O3分子反应的机理和动力学研究
IF 3.2 3区 化学
Chemistry - An Asian Journal Pub Date : 2026-11-01 DOI: 10.1002/asia.71046
Rabu Ranjan Changmai, Samsung Raja Daimari, Manabendra Sarma
{"title":"Mechanistic and Kinetic Insights Into the Reaction of HFO-1234ze with Cl Atoms and O<sub>3</sub> Molecules.","authors":"Rabu Ranjan Changmai, Samsung Raja Daimari, Manabendra Sarma","doi":"10.1002/asia.71046","DOIUrl":"https://doi.org/10.1002/asia.71046","url":null,"abstract":"<p><p>Unsaturated hydrofluorocarbons (HFOs) have become a potential environmentally friendly replacement for chlorofluorocarbons (CFCs) due to their shorter lifespans, zero ozone-depletion potentials (ODPs), and low global warming potentials (GWPs). In this work, the atmospheric reaction of both the E and Z isomers of 1,3,3,3-tetrafluoroprop-1-ene, CF<sub>3</sub>CH═CFH (HFO-1234ze), with Cl atoms and <math><msub><mi>O</mi> <mn>3</mn></msub> </math> molecules have been investigated using high-level electronic structure calculations. Geometry optimization and harmonic frequency calculations were performed at the M06-2X level, while independent geometry optimizations were carried out at the MP2 level to obtain correlated-electron geometries for subsequent CCSD(T) single-point energy calculations. Spin-orbit coupling corrections were explicitly considered for Cl-involved reactions and Yamaguchi's spin projection method was applied to account for the biradical character of <math><msub><mi>O</mi> <mn>3</mn></msub> </math> molecules. For Cl atoms, the addition reactions at the C═C bond proceed via submerged barriers and are strongly exothermic, whereas the abstraction channels are associated with high barriers and are endothermic. Moreover, for <math><msub><mi>O</mi> <mn>3</mn></msub> </math> molecules, both the exo and endo approaches were investigated, involving a five-membered primary ozonide (POZ) formation, followed by a competitive O─O bond cleavage to form Criegee intermediates and corresponding carbonyl compounds. Rate coefficients were computed using Eckart-corrected variational transition-state theory at the M06-2X level in the temperature range 200-400 K.</p>","PeriodicalId":145,"journal":{"name":"Chemistry - An Asian Journal","volume":"21 21","pages":""},"PeriodicalIF":3.2,"publicationDate":"2026-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149369741","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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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