Journal of Photochemistry and Photobiology A-chemistry最新文献

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Mechanistic insight into S-scheme TiO2/Bi2O2[BO2(OH)] heterojunction for efficient tetracycline antibiotic photodegradation: pathways and toxicity evaluation S-scheme TiO2/Bi2O2[BO2(OH)]异质结对四环素抗生素有效光降解的机理:途径和毒性评价
IF 4.7 3区 化学
Journal of Photochemistry and Photobiology A-chemistry Pub Date : 2026-07-01 Epub Date: 2026-02-08 DOI: 10.1016/j.jphotochem.2026.117104
Chenglong Wu, Xingmeng Zhou, Yuxin Zhang, Yunxiang Zhang, Keshun Nie, Zhongjie Wang, Qinfang Zhang
{"title":"Mechanistic insight into S-scheme TiO2/Bi2O2[BO2(OH)] heterojunction for efficient tetracycline antibiotic photodegradation: pathways and toxicity evaluation","authors":"Chenglong Wu,&nbsp;Xingmeng Zhou,&nbsp;Yuxin Zhang,&nbsp;Yunxiang Zhang,&nbsp;Keshun Nie,&nbsp;Zhongjie Wang,&nbsp;Qinfang Zhang","doi":"10.1016/j.jphotochem.2026.117104","DOIUrl":"10.1016/j.jphotochem.2026.117104","url":null,"abstract":"<div><div>The rational design of heterojunction photocatalysts with the staggered band alignment and optimized interfacial contact represents a promising approach to achieve the superior photocatalytic activities. In this contribution, we report a novel strategy for engineering TiO<sub>2</sub>-based superatom-type oxyhalide materials [BO<sub>2</sub>(OH)]<sup>2+</sup> through the construction of an S-scheme heterojunction, which has not been previously explored for photocatalytic applications. A S-scheme heterojunction between TiO<sub>2</sub> and Bi<sub>2</sub>O<sub>2</sub>[BO<sub>2</sub>(OH)] (BOBH) was strategically synthesized for the degradation of tetracycline (TC) antibiotic under the visible light irradiation. The optimized TiO<sub>2</sub>/Bi<sub>2</sub>O<sub>2</sub>[BO<sub>2</sub>(OH)] (TOBB-6) sample depicts the superior photocatalytic degradation activities of TC (0.03019 min<sup>−1</sup>), which is approximately 7.56 and 2.48 times higher than that of pure BOBH (0.00557 min<sup>−1</sup>) and TiO<sub>2</sub> (0.01697 min<sup>−1</sup>), respectively. Electron spin resonance (ESR) reveals that <span><math><mo>∙</mo><msubsup><mi>O</mi><mn>2</mn><mo>−</mo></msubsup></math></span> radicals play a decisive role in the photocatalytic process, as evidenced by their continuous generation under the light irradiation and the absence of ·OH radicals post irradiation. Five possible degradation pathways are proposed and involve initial attacks by reactive specie at specific TC sites, leading to sequential reactions such as demethylation, deamidation, dehydroxylation, ring opening, and C<img>O bond cleavage. The superior performance of the TOBB-6 composite is attributed to the construction of S-scheme heterojunction, which enhances light absorption, facilitates charge transfer, and suppresses charge carrier recombination. These findings not only validate a novel approach for designing high-performance photocatalysts but also provide new insights into the charge separation mechanism and pollutant degradation pathways in S-scheme systems, offering a promising framework for advancing photocatalytic degradation technologies.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"476 ","pages":"Article 117104"},"PeriodicalIF":4.7,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146171716","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 of bacteriochlorophyll-d analogs with peripheral 7,172-bis(alkoxycarbonyl) groups and their substituent-dependent self-aggregation in lipophilic alkanes 具有7,172-bis(烷氧羰基)外周基团的细菌叶绿素-d类似物的合成及其在亲脂烷烃中的取代基依赖自聚集
IF 4.7 3区 化学
Journal of Photochemistry and Photobiology A-chemistry Pub Date : 2026-07-01 Epub Date: 2026-02-06 DOI: 10.1016/j.jphotochem.2026.117092
Tomohiro Miyatake , Takafumi Yuasa , Kokoro Sakakibara , Hitoshi Tamiaki
{"title":"Synthesis of bacteriochlorophyll-d analogs with peripheral 7,172-bis(alkoxycarbonyl) groups and their substituent-dependent self-aggregation in lipophilic alkanes","authors":"Tomohiro Miyatake ,&nbsp;Takafumi Yuasa ,&nbsp;Kokoro Sakakibara ,&nbsp;Hitoshi Tamiaki","doi":"10.1016/j.jphotochem.2026.117092","DOIUrl":"10.1016/j.jphotochem.2026.117092","url":null,"abstract":"<div><div>Four zinc 3<sup>1</sup>-demethyl-bacteriopheophorbides-<em>d</em> possessing methoxy/hexyloxycarbonyl groups at the 7- and 17<sup>2</sup>-positions along the molecular x-axis were prepared by chemical modification of naturally occurring chlorophyll-<em>b</em>. The synthetic compounds were monomeric states in tetrahydrofuran (THF) to give Soret and Qy bands at longer and shorter wavelengths, respectively, than those of the 7-methyl counterpart. The changes in the electronic absorption spectra were ascribable to the electronegativity of the 7-substituents. In 1% (<em>v</em>/<em>v</em>) THF and decane, the zinc 3<sup>1</sup>-hydroxy-13<sup>1</sup>-oxo-chlorins self-aggregated along the molecular y-axis to exhibit broadened and red-shifted Soret and Qy bands along with intense circular dichroism bands, compared to their monomeric bands. These spectral behaviors were comparable to those of bacteriochlorophyll-<em>d</em> self-aggregates in the major light-harvesting antenna of photosynthetic green bacteria (chlorosomes). After standing the decane solution at 25 °C, the supramolecular structure of the self-aggregate of the 7-hexyl/17<sup>2</sup>-methyl-esterified homolog was transformed into another assembly with more tolerant to deaggregation, whereas the other three homologs did not alter their self-aggregate supramolecules. This specific transformation was due to the hydrophobic interaction of the hexyl group in the 7-substituent with the lipophilic decane solvent and less interaction of the methyl group in the 17-propionate residue with decane. The supramolecular transformation was dependent on the solvent hydrophobicity and viscosity and occurred through an autocatalytic process.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"476 ","pages":"Article 117092"},"PeriodicalIF":4.7,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146171717","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
Single vs dual steps enol-keto photoisomerisation: molecule with two ways symmetrical cyclic six-membered H-bonded network 单步与双步烯醇酮光异构化:具有两种对称环六元氢键网络的分子
IF 4.7 3区 化学
Journal of Photochemistry and Photobiology A-chemistry Pub Date : 2026-07-01 Epub Date: 2026-02-09 DOI: 10.1016/j.jphotochem.2026.117106
Souvik Santra, Nikhil Guchhait
{"title":"Single vs dual steps enol-keto photoisomerisation: molecule with two ways symmetrical cyclic six-membered H-bonded network","authors":"Souvik Santra,&nbsp;Nikhil Guchhait","doi":"10.1016/j.jphotochem.2026.117106","DOIUrl":"10.1016/j.jphotochem.2026.117106","url":null,"abstract":"<div><div>In this article, we have explored enol-keto photoisomerization in 4,4’-Dihydroxy-[1,1′-biphenyl]-3,3′-dicarbaldehyde (<strong>DHDC</strong>), a molecule synthesised by coupling of two Salicaldehyde units having two ways identical proton transfer sites. Steady state absorption, emission and excited state lifetime measurement and a comparison with the spectral behaviour of the parent molecule Salicaldehyde support the occurrence of only single step proton transfer process, i.e. enol-keto photoisomerisation in <strong>DHDC</strong>. Computational studies were performed using DFT and TD-DFT method to find different ground and excited state structures and to calculate energy barrier along the proton transfer coordinates. X-ray single crystal diffraction supports the existence of dual enol form (EE) in the ground state where both the proton donor and acceptor sites can form six-membered intramolecular H-bonded network. In the excited state, among the three possible tautomers only dual Enol (EE*) and the Enol-keto (EK*) tautomer can exist, but not the corresponding dual Keto tautomer (KK*) due to the absence of any minima in the potential energy curve along the proton transfer coordinate. Analysis of theoretical potential energy curves in two different solvents supports the feasibility of first proton process in the excited state (EE* to EK*) with an accessible low energy barrier at room temperature whereas second proton transfer is not possible due to the non-existence of dual Keto tautomer (KK*).</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"476 ","pages":"Article 117106"},"PeriodicalIF":4.7,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146171695","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
Anion- and acid-induced absorption and emission switching in rhodium(III)-terpyridine complexes 铑(III)-三吡啶配合物阴离子和酸诱导的吸收和发射开关
IF 4.7 3区 化学
Journal of Photochemistry and Photobiology A-chemistry Pub Date : 2026-07-01 Epub Date: 2026-02-04 DOI: 10.1016/j.jphotochem.2026.117091
Sohini Bhattacharya, Poulami Pal, Sujoy Baitalik
{"title":"Anion- and acid-induced absorption and emission switching in rhodium(III)-terpyridine complexes","authors":"Sohini Bhattacharya,&nbsp;Poulami Pal,&nbsp;Sujoy Baitalik","doi":"10.1016/j.jphotochem.2026.117091","DOIUrl":"10.1016/j.jphotochem.2026.117091","url":null,"abstract":"<div><div>A new class of Rh(III)-complexes based on 4′-(<em>p</em>-triphenylphosphoniummethyl phenyl)-2,2′:6′,2″-terpyridine]bromide (tpy-PhCH<sub>2</sub>PPh<sub>3</sub>Br) ligand is designed herein. The complexes exhibit strong absorption within 300–370 nm range, attributed to intra-ligand charge transfer (ILCT) and π-π* transitions, as well as moderate emission at ∼430 nm possessing lifetimes of 1.5–20 ns at room temperature in DMSO. The complexes portray multiple quasi-reversible/irreversible waves in between −0.78 and − 2.03 V, due to reduction of Rh(III) to Rh(I) and terpyridine units, while an irreversible Rh(III)/Rh(IV) oxidation within the potential domain of 1.35–1.42 V. Remarkable augmentation in both absorption (visible-NIR domain) and emission (visible region) spectral characteristics is achieved in presence of specific anions such as F<sup>−</sup>, AcO<sup>−</sup>, and H<sub>2</sub>PO<sub>4</sub><sup>−</sup>. In essence, the complexes act as multi-channel receptors of selected anions. Moreover, switching of absorption in between UV and NIR region is made feasible upon alternate treatment of the fluoride ion and acid. The spectral responses were also employed to imitate the Boolean logic operations of TRANSFER YES, 2-input 2-output OR and INHIBIT logic gates. In conjunction with experimental demonstration, theoretical calculations involving density functional theory (DFT) and time-dependent (TD)-DFT are executed for appropriate assignment of the spectral bands and to visualize the mode of receptor-anion interplay.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"476 ","pages":"Article 117091"},"PeriodicalIF":4.7,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146171666","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
Enhanced degradation of emerging pollutants in real wastewater via ZIF-derived co-NC modified CN: Mechanism and performance evaluation zif衍生的co-NC改性CN增强实际废水中新出现污染物的降解:机理与性能评价
IF 4.7 3区 化学
Journal of Photochemistry and Photobiology A-chemistry Pub Date : 2026-07-01 Epub Date: 2026-02-02 DOI: 10.1016/j.jphotochem.2026.117088
Zhi Zhu , Wenqiang Bo , Li Yao , Hong Yan , Ebtihal Abograin , Xu Tang , Yuanyuan Li , Jun Zhao , Sheng Ji , Pengwei Huo , Yan Guo , Yuanyuan Wang
{"title":"Enhanced degradation of emerging pollutants in real wastewater via ZIF-derived co-NC modified CN: Mechanism and performance evaluation","authors":"Zhi Zhu ,&nbsp;Wenqiang Bo ,&nbsp;Li Yao ,&nbsp;Hong Yan ,&nbsp;Ebtihal Abograin ,&nbsp;Xu Tang ,&nbsp;Yuanyuan Li ,&nbsp;Jun Zhao ,&nbsp;Sheng Ji ,&nbsp;Pengwei Huo ,&nbsp;Yan Guo ,&nbsp;Yuanyuan Wang","doi":"10.1016/j.jphotochem.2026.117088","DOIUrl":"10.1016/j.jphotochem.2026.117088","url":null,"abstract":"<div><div>In this study, a composite photocatalyst comprising a thin carbon layer and highly dispersed cobalt active sites derived from ZIF-L and modified g-C<sub>3</sub>N<sub>4</sub> (CN), was synthesized using a vacuum calcination method. The composite of Co-NC@CN, demonstrated impressive tetracycline (TC) degradation activity (nearly 80%), both in controlled experiments and in real river water conditions. Experimental visualization and characterization results indicated that the carbon layer and the unique cobalt species, with their Co<sup>3+</sup>/Co<sup>2+</sup> redox capability, enhanced the migration and transfer efficiency of photogenerated carriers, as well as the NC improved TC adsorption. Additionally, free radical capture experiments and electron spin resonance (ESR) confirmed that superoxide radicals (<sup><strong>.</strong></sup>O<sub>2</sub><sup>−</sup>), hydroxyl radical (<sup><strong>.</strong></sup>OH) and holes (h<sup>+</sup>) are the primary active species involved in the TC degradation process. Further analysis using liquid chromatography mass spectrometry (LC-MS) and diffuse reflectance in situ Fourier-transform infrared spectroscopy (Drifts-FTIR) provided detailed insights into the degradation process and the intermediate products formed. This research offers a promising approach to synthesizing sunlight-driven composite photocatalysts for the treatment of real wastewater.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"476 ","pages":"Article 117088"},"PeriodicalIF":4.7,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146171670","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
A polymer-supported osmium photosensitizer for efficient and selective aerobic photooxidation of thioethers 用于硫醚的高效选择性好氧光氧化的聚合物负载锇光敏剂
IF 4.7 3区 化学
Journal of Photochemistry and Photobiology A-chemistry Pub Date : 2026-07-01 Epub Date: 2026-01-31 DOI: 10.1016/j.jphotochem.2026.117076
Kun Zhang, Jie Zhang, Fie Wu, Yuefeng Ji, Xin Zhou
{"title":"A polymer-supported osmium photosensitizer for efficient and selective aerobic photooxidation of thioethers","authors":"Kun Zhang,&nbsp;Jie Zhang,&nbsp;Fie Wu,&nbsp;Yuefeng Ji,&nbsp;Xin Zhou","doi":"10.1016/j.jphotochem.2026.117076","DOIUrl":"10.1016/j.jphotochem.2026.117076","url":null,"abstract":"<div><div>Heterogeneous photocatalysis offers a sustainable platform for organic synthesis, combining structural tunability, cost efficiency, and catalyst recyclability. However, the development of photocatalysts that mediate efficient and selective thioether oxidation remains challenging. Here, we report a polymer-ligand engineering approach to construct heterogeneous osmium (II)-based photosensitizers. Hydrophilic copolymer ligands based on poly(N-vinylimidazole) (PVI) with integrated acrylamide (AM) units were synthesized and complexed with Os(bpy)<sub>2</sub>Cl<sub>2</sub>, yielding polymer-supported photosensitizers. The optimized material, <strong>Os-AM-10</strong>, forms nanoparticles in aqueous media and exhibits absorption extending to the near-infrared region. Under visible light and aerobic conditions, <strong>Os-AM-10</strong> demonstrated outstanding catalytic activity, achieving over 99% conversion of methyl phenyl sulfide. Moreover, the catalyst also converted 23 diverse thioether derivatives into the corresponding sulfoxides in 76–94% isolated yield. This work highlights the potential of polymer-driven photosensitizer design for green and selective oxidation chemistry.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"476 ","pages":"Article 117076"},"PeriodicalIF":4.7,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146171728","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
Crystal structure, vibrational, and electronic characterization and topological analysis of Glycine-Glycinium Pyromellitate (−) Dihydrate 甘氨酸-甘氨酸吡啶酸(−)二水合物的晶体结构、振动、电子表征和拓扑分析
IF 4.7 3区 化学
Journal of Photochemistry and Photobiology A-chemistry Pub Date : 2026-07-01 Epub Date: 2026-01-24 DOI: 10.1016/j.jphotochem.2026.117054
B. Shantha Lakshmi , V. Sabari , E. Mohanapriya , Kalpana Sukumar , J. Janczak , V. Ragavendran , N. Kanagathara
{"title":"Crystal structure, vibrational, and electronic characterization and topological analysis of Glycine-Glycinium Pyromellitate (−) Dihydrate","authors":"B. Shantha Lakshmi ,&nbsp;V. Sabari ,&nbsp;E. Mohanapriya ,&nbsp;Kalpana Sukumar ,&nbsp;J. Janczak ,&nbsp;V. Ragavendran ,&nbsp;N. Kanagathara","doi":"10.1016/j.jphotochem.2026.117054","DOIUrl":"10.1016/j.jphotochem.2026.117054","url":null,"abstract":"<div><div>The direct reaction of glycine with pyromellitic acid in aqueous solution yields hydrated crystals of {[(NH<sub>3</sub>CH<sub>2</sub>COOH<sub>0.5</sub>)<sub>2</sub>]<sup>+</sup>[C<sub>6</sub>H<sub>2</sub>(COOH)<sub>3</sub>COO]–·2H<sub>2</sub>O} (DGLYPDH). Single-crystal X-ray diffraction confirms a triclinic crystal system (space group <em>P</em><span><math><mrow><mover><mn>1</mn><mo>¯</mo></mover></mrow></math></span>) with a robust three-dimensional hydrogen-bonded network supported by O–H···O and N–H···O interactions and partial proton disorder (0.5 occupancy). Hirshfeld surface and 2D fingerprint analyses of DGLYPDH reveal that O–H···O hydrogen bonds dominate the crystal packing (≈60–65% contribution), supported by H···H dispersive and C···O contacts. Molecular Electrostatic Potential (MESP) analysis provides detailed into the charge distribution within a DGLYPDH molecule, highlighting regions to electrophilic and nucleophilic attacks, and aiding in understanding reactivity and intermolecular interactions. Vibrational spectroscopy, corroborated by DFT (RB3LYP/6-311G (d, p)) calculations, verifies the presence of NH<sub>3</sub><sup>+</sup>, COO<sup>−</sup>, C<img>O, CH<sub>2</sub>, and H<sub>2</sub>O groups and shows excellent agreement between experimental and theoretical frequencies. Electronic analysis reveals a HOMO–LUMO energy gap of 3.978 eV, moderate electronic stability, and significant electron delocalization. Natural Bond Orbital calculations indicate strong hyper conjugative interactions, while the first-order hyperpolarizability is 96.35 times greater than that of urea, demonstrating remarkable nonlinear optical (NLO) potential. Topological analysis (ELF and LOL) further highlights the localized electron density, covalent bonding within the pyromellitate ring, and an electrostatic landscape conducive to supramolecular assembly. Additionally, molecular docking explores potential binding interaction and possible biological activities of the taken compound. These combined structural, vibrational, electronic, and biological results establish DGLYPDH as a stable hydrogen-bonded crystal with promising applications in NLO and optoelectronic materials.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"476 ","pages":"Article 117054"},"PeriodicalIF":4.7,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146171730","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
Molecular design of donor–acceptor driven AIE active blue–red emitters for organic electronics 有机电子学用供体-受体驱动AIE活性蓝红发射器的分子设计
IF 4.7 3区 化学
Journal of Photochemistry and Photobiology A-chemistry Pub Date : 2026-07-01 Epub Date: 2026-02-09 DOI: 10.1016/j.jphotochem.2026.117101
Reshma J. Pandhare, Shruti N. Sonavane, Purav M. Badani, Rajesh M. Kamble
{"title":"Molecular design of donor–acceptor driven AIE active blue–red emitters for organic electronics","authors":"Reshma J. Pandhare,&nbsp;Shruti N. Sonavane,&nbsp;Purav M. Badani,&nbsp;Rajesh M. Kamble","doi":"10.1016/j.jphotochem.2026.117101","DOIUrl":"10.1016/j.jphotochem.2026.117101","url":null,"abstract":"<div><div>A set of seven donor–acceptor (D–A) derivatives were successfully synthesized via palladium-catalyzed Buchwald Hartwig (C − N) coupling amination reaction by systematically varying the donor substituents on the dithieno[2,3-<em>a</em>:3′,2′-<em>c</em>]phenazine core. Their structural modifications were carefully correlated with optoelectronic properties through comprehensive spectroscopic and electrochemical investigations. The absorption profiles showed unique intramolecular charge transfer (ICT) transitions between 445 and 512 nm, while the emission spectra exhibited positive solvatochromism, with blue–red luminescence maxima covered within 474–651 nm. Solid-state photoluminescence studies further confirmed aggregation-induced emission (AIE) behaviour in THF–H<sub>2</sub>O mixtures, initiating from nanoaggregate formation, as confirmed by FEG-SEM analysis. Electrochemical measurements provided HOMO and LUMO energy levels in the range of −4.53 to −5.66 eV and − 3.13 to −3.39 eV, respectively. Density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations determined the singlet–triplet energy gaps (ΔE<sub>ST</sub>) to fall between 0.008 and 0.81 eV. Importantly, dye <strong>6</strong> exhibited pH-responsive luminescence, which demonstrates its potential for application in optical data encryption. Therefore, the combination of suitable HOMO–LUMO alignment with known bipolar materials, pronounced solid-state emission, and additional functional sensing ability underscores these D–A derivatives as favorable candidates for next-generation solid-state emissive and bipolar charge-transporting materials in organic electronics.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"476 ","pages":"Article 117101"},"PeriodicalIF":4.7,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146171693","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
AIE-active thienopyrimidine derivatives: from photoluminescent and insecticidal agents to carbonized electrodes for energy storage aie活性噻吩嘧啶衍生物:从光致发光和杀虫剂到用于储能的碳化电极
IF 4.7 3区 化学
Journal of Photochemistry and Photobiology A-chemistry Pub Date : 2026-07-01 Epub Date: 2026-01-30 DOI: 10.1016/j.jphotochem.2026.117077
Amira Zaki Ebrahim , Mahmoud S. Tolba , Ahmed A.K. Mohammed , Mohamed A. Gad , Adel M. Kamal El-Dean , Osama Younis
{"title":"AIE-active thienopyrimidine derivatives: from photoluminescent and insecticidal agents to carbonized electrodes for energy storage","authors":"Amira Zaki Ebrahim ,&nbsp;Mahmoud S. Tolba ,&nbsp;Ahmed A.K. Mohammed ,&nbsp;Mohamed A. Gad ,&nbsp;Adel M. Kamal El-Dean ,&nbsp;Osama Younis","doi":"10.1016/j.jphotochem.2026.117077","DOIUrl":"10.1016/j.jphotochem.2026.117077","url":null,"abstract":"<div><div>A new series of thienopyrimidines was synthesized and characterized by FT-IR, <sup>1</sup>H/<sup>13</sup>C NMR, and HRMS. Their optical properties were systematically studied in various solvents, as well as in mixed systems to probe aggregation-induced emission (AIE). All compounds exhibited two main absorption bands, assigned to π–π* and intramolecular charge transfer (ICT) transitions, which showed solvent-dependent shifts and moderate solvatochromism. Photoluminescence studies revealed structured emissions in solution and strong AIE responses in DMSO/toluene mixtures, whereas fluorescence quenching occurred in DMSO/water systems, except for compound <strong>7</strong>, which exhibited dual emission at high water fractions. Density functional theory (DFT) calculations clarified the electronic structures and intermolecular interactions, consistent with experimental data. Molecular docking studies revealed strong binding affinities toward nicotinic acetylcholine receptor (nAChR) and cyclin-dependent kinase 2 (CDK2), suggesting potential biological applications. Insecticidal assays against <em>A. gossypii</em> confirmed measurable activity for all compounds, with <strong>2</strong> and <strong>5</strong> displaying the highest toxicity, comparable to that of acetamiprid. To broaden the functional scope, two low-molecular-weight derivatives (<strong>2a</strong> and <strong>7</strong>) were carbonized under argon at 400 °C to produce carbonized materials (C-400-I and C-400-II). Electrochemical characterization by cyclic voltammetry and galvanostatic charge–discharge revealed a predominant capacitive behavior and specific capacitances of up to 7.7 F g<sup>−1</sup> at a current density of 0.5 A g<sup>−1</sup>. The superior performance of C-400-I (40 μL) is attributed to enhanced surface accessibility and ion transport. This multifunctionality arises from the intrinsic heteroatom-rich thienopyrimidine framework, which governs excited-state behavior, biological interactions, and the formation of electrochemically active carbonized materials upon thermal conversion. This work integrates molecular photophysics, bioactivity, and carbonization-based energy storage, positioning AIE-active thienopyrimidine derivatives as multifunctional materials for optical, biological, and electrochemical applications.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"476 ","pages":"Article 117077"},"PeriodicalIF":4.7,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146171729","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
Construction and performance regulation of TiO2/Bi2O3 photocatalyst with Z-scheme heterojunction z型异质结TiO2/Bi2O3光催化剂的构建及性能调控
IF 4.7 3区 化学
Journal of Photochemistry and Photobiology A-chemistry Pub Date : 2026-07-01 Epub Date: 2026-01-27 DOI: 10.1016/j.jphotochem.2026.117074
Xiaojun Wen, Lei Liao, Yi He, Yingrong Jin, Ping Ren, Liang He, Changjie Jiang, Wei Yuan
{"title":"Construction and performance regulation of TiO2/Bi2O3 photocatalyst with Z-scheme heterojunction","authors":"Xiaojun Wen,&nbsp;Lei Liao,&nbsp;Yi He,&nbsp;Yingrong Jin,&nbsp;Ping Ren,&nbsp;Liang He,&nbsp;Changjie Jiang,&nbsp;Wei Yuan","doi":"10.1016/j.jphotochem.2026.117074","DOIUrl":"10.1016/j.jphotochem.2026.117074","url":null,"abstract":"<div><div>Composite photocatalysts with <em>Z</em>-scheme and S-scheme heterojunctions show promising application potential, yet their synthesis remains challenging due to immature construction techniques. In this study, commercial TiO<sub>2</sub> and calcined Bi<sub>2</sub>O<sub>3</sub> were used as raw materials. By regulating the oxygen vacancy concentration on the surfaces of TiO<sub>2</sub> and Bi<sub>2</sub>O<sub>3</sub> nanoparticles, and thereby modulating the surface energy levels of the TiO<sub>2</sub> and Bi<sub>2</sub>O<sub>3</sub> particles, a TiO<sub>2</sub>/Bi<sub>2</sub>O<sub>3</sub> composite photocatalyst with a <em>Z</em>-scheme heterojunction was constructed via a hydrothermal method. The results indicate that the metallic bismuth formed during hydrothermal treatment bridges Bi<sub>2</sub>O<sub>3</sub> and TiO<sub>2</sub>. At a Bi<sub>2</sub>O<sub>3</sub>-to-TiO<sub>2</sub> mass ratio of 9:100 (sample TB9), the composite catalyst achieves 99.5% degradation of methylene blue and retains excellent stability over five cycles. This work proposes a strategy for constructing heterojunction photocatalysts by modulating surface energy levels, offering a novel approach for developing efficient photocatalytic materials.</div></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":"476 ","pages":"Article 117074"},"PeriodicalIF":4.7,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146171731","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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