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Utilizing a Carbazole-Incorporated Regioisomeric Synthesis Strategy to Design Hole Transporting Materials for Perovskite Solar Cells 利用掺入咔唑的 Regioisomeric 合成策略为 Perovskite 太阳能电池设计空穴传输材料
IF 3 4区 化学
ChemPhotoChem Pub Date : 2024-05-02 DOI: 10.1002/cptc.202400040
Dr. Tamer Yeşil, Assist. Prof. Adem Mutlu, M. Sc. Sevdiye Başak Turgut, Assoc. Prof. Burak Gültekin, Prof. Dr. Ceylan Zafer
{"title":"Utilizing a Carbazole-Incorporated Regioisomeric Synthesis Strategy to Design Hole Transporting Materials for Perovskite Solar Cells","authors":"Dr. Tamer Yeşil,&nbsp;Assist. Prof. Adem Mutlu,&nbsp;M. Sc. Sevdiye Başak Turgut,&nbsp;Assoc. Prof. Burak Gültekin,&nbsp;Prof. Dr. Ceylan Zafer","doi":"10.1002/cptc.202400040","DOIUrl":"10.1002/cptc.202400040","url":null,"abstract":"<p>Two new p-type molecules, namely TAT-TY3 and TAT-TY4, featuring triazatruxene endcaps and carbazole π-bridges, were synthesized. The photophysical and electrochemical properties of synthesized materials were comparatively investigated based on their 2,7- and 3,6-carbazole conjugation pathways. Optical characterizations revealed the impact of non-bonding electron delocalization of triazatruxene through carbazole moieties, resulting in a significant increase in absorption intensity corresponding to n-π* energy transitions and a red shift of triazatruxene moieties. Consequently, the optical band gaps of TAT-TY3 and TAT-TY4 were measured at 3.0 and 3.2 eV, respectively. Moreover, the molecules′ first oxidation potentials exhibited a drastic difference due to the electrochemical behavior of 2,7- and 3,6-carbazole moieties. The highest occupied molecular orbital (HOMO) level for TAT-TY3 was measured to be −5.02 eV, while for TAT-TY4, it was measured as −4.67 eV. Hole-extraction properties were explored using steady-state and time-resolved photoluminescence spectroscopy, revealing enhanced charge transfer between the TAT-TY3/Perovskite interface due to the better alignment of HOMO energy levels. The photovoltaic performances of the hole-transporting materials (HTMs) were successfully characterized in triple-cation perovskite solar cells and efficiencies of up to 17.9 %, 16.2 %, and 9.8 % were achieved for Spiro-OMeTAD, TAT-TY3, and TAT-TY4, respectively.</p>","PeriodicalId":10108,"journal":{"name":"ChemPhotoChem","volume":"8 9","pages":""},"PeriodicalIF":3.0,"publicationDate":"2024-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140831990","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
The Orthogonal α-meso-Linked bisBODIPY Photosensitizers Demonstrate Effective Two-Photon Fluorescence Imaging and Photodynamic Therapy 正交α-介质连接双 BODIPY 光敏剂展示了有效的双光子荧光成像和光动力疗法
IF 3 4区 化学
ChemPhotoChem Pub Date : 2024-04-30 DOI: 10.1002/cptc.202400100
Luying Guo, Dr. Xing Guo, Huiquan Zuo, Heng Li, Dr. Fan Lv, Dr. Qinghua Wu, Prof. Lijuan Jiao, Prof. Erhong Hao
{"title":"The Orthogonal α-meso-Linked bisBODIPY Photosensitizers Demonstrate Effective Two-Photon Fluorescence Imaging and Photodynamic Therapy","authors":"Luying Guo,&nbsp;Dr. Xing Guo,&nbsp;Huiquan Zuo,&nbsp;Heng Li,&nbsp;Dr. Fan Lv,&nbsp;Dr. Qinghua Wu,&nbsp;Prof. Lijuan Jiao,&nbsp;Prof. Erhong Hao","doi":"10.1002/cptc.202400100","DOIUrl":"10.1002/cptc.202400100","url":null,"abstract":"<p>Hypoxic tumor microenvironments pose significant challenges to the clinical translation of cancer photodynamic therapy (PDT). While heavy atom-free Type-I boron dipyrromethenes (BODIPYs) photosensitizers can alleviate this challenge by reducing oxygen dependency, but they remain scarce. Herein, heavy-atom-free <i>α,meso</i>-linked bisBODIPYs were designed and synthesized. These bisBODIPYs exhibit remarkable red-shifted emission (λemmax ~670 nm), large Stokes shifts (~4480 cm<sup>−1</sup>) and they are capable of producing both superoxide anion (O<sub>2</sub>⋅<sup>−</sup>) and singlet oxygen (<sup>1</sup>O<sub>2</sub>) in solution and cells. Additionally, they offer a wide PDT treatment window, ranging from 0.26 to 83.5 μM. Furthermore, these bisBODIPYs also demonstrate superior two-photon fluorescence, promising for surgical navigation and integrating diagnosis with treatment.</p>","PeriodicalId":10108,"journal":{"name":"ChemPhotoChem","volume":"8 9","pages":""},"PeriodicalIF":3.0,"publicationDate":"2024-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140832076","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
Photo-Responsive TiO2-Gold Nanoparticle-Polymer Nanohybrid Exhibits Photothermal, Thermo-Release, and Photocatalytic Effects 光响应性二氧化钛-金纳米粒子-聚合物纳米杂化物具有光热、热释放和光催化效应
IF 3 4区 化学
ChemPhotoChem Pub Date : 2024-04-29 DOI: 10.1002/cptc.202400088
Grazia M. L. Consoli, Giuseppe Forte, Ludovica Maugeri, Salvatore Petralia
{"title":"Photo-Responsive TiO2-Gold Nanoparticle-Polymer Nanohybrid Exhibits Photothermal, Thermo-Release, and Photocatalytic Effects","authors":"Grazia M. L. Consoli,&nbsp;Giuseppe Forte,&nbsp;Ludovica Maugeri,&nbsp;Salvatore Petralia","doi":"10.1002/cptc.202400088","DOIUrl":"10.1002/cptc.202400088","url":null,"abstract":"<p>The development of multi-responsive nanohybrid systems that combine photothermia, thermo-responsive effects and photocatalysis is a challenging topic in the research of multifunctional materials with a large field of applications. Here, we report the first example of a three-components light-responsive nanosystem consisting of titania, gold nanoparticles and poly-<i>N</i>-isopropylacrylamide (TiO<sub>2</sub>-Au-PNM). The hybrid nanostructure exhibited photothermal conversion effect upon green-light excitation and capacity to entrap methylene blue and curcumin selected as cargo models. The formation of the nanohybrid–cargo adducts, the photothermal-controlled cargo release triggered by green-light irradiation (532 nm) and mediated by lower critical solution temperature (LCST), as well as the photocatalytic effect prompted by UV-light excitation (300 nm) were demonstrated by spectroscopic techniques. The mechanism involved in the interaction of the polymeric component with the cargos was investigated by molecular modelling calculations.</p>","PeriodicalId":10108,"journal":{"name":"ChemPhotoChem","volume":"8 9","pages":""},"PeriodicalIF":3.0,"publicationDate":"2024-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140831673","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
Isomer-Dependent Melting Behavior of Low Molar Mass Azobenzene Derivatives: Observation of a Higher Melting Z-Isomer 低摩尔质量偶氮苯衍生物的异构体熔融行为:观察到熔点较高的 Z 异构体
IF 3 4区 化学
ChemPhotoChem Pub Date : 2024-04-26 DOI: 10.1002/cptc.202400084
S. Barrett, J. Nieves, E. Collins, V. Fieglein, M. Burns, J. Guerrero, L. Mouer, W. J. Brittain
{"title":"Isomer-Dependent Melting Behavior of Low Molar Mass Azobenzene Derivatives: Observation of a Higher Melting Z-Isomer","authors":"S. Barrett,&nbsp;J. Nieves,&nbsp;E. Collins,&nbsp;V. Fieglein,&nbsp;M. Burns,&nbsp;J. Guerrero,&nbsp;L. Mouer,&nbsp;W. J. Brittain","doi":"10.1002/cptc.202400084","DOIUrl":"10.1002/cptc.202400084","url":null,"abstract":"<p>Azobenzene compounds are putative solar thermal fuels (STF) due to the excellent photostability and structural control of isomerization rates. Azobenzenes, in which both <i>Z</i>- and <i>E</i>-isomers are liquid at room temperature, are promising candidates for STF flow technology. A literature survey of melting points led to the synthesis and isomer separation of <i>ortho</i>- and <i>meta</i>-monosubstituted azobenzenes with fluoro, methyl, ethyl, trifluoromethyl and methoxy substituents and several dimethyl substituted azobenzenes. Four of the compounds are liquid azobenzenes with higher specific energy than literature work with higher molar mass, liquid compounds. Eight of the compounds unexpectedly displayed a higher melting point for the <i>Z</i>-isomer which is rarely observed. Intermolecular close contacts in the crystal lattice of the <i>Z</i>-isomer are the main factor responsible for the higher melting temperatures.</p>","PeriodicalId":10108,"journal":{"name":"ChemPhotoChem","volume":"8 9","pages":""},"PeriodicalIF":3.0,"publicationDate":"2024-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cptc.202400084","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140801023","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Unravelling the Competition between Internal Conversion and Intersystem Crossing in Twisted molecule 9-Phenylacridine by Femtosecond Time-resolved Spectroscopy 通过飞秒时间分辨光谱学揭示 9-苯基吖啶双分子中内部转换和系统间交叉的竞争关系
IF 3 4区 化学
ChemPhotoChem Pub Date : 2024-04-26 DOI: 10.1002/cptc.202400108
Ke Hu, Xiaoxiao He, PeiPei Jin, Xueli Wang, Prof. Haifeng Pan, Prof. Jinquan Chen
{"title":"Unravelling the Competition between Internal Conversion and Intersystem Crossing in Twisted molecule 9-Phenylacridine by Femtosecond Time-resolved Spectroscopy","authors":"Ke Hu,&nbsp;Xiaoxiao He,&nbsp;PeiPei Jin,&nbsp;Xueli Wang,&nbsp;Prof. Haifeng Pan,&nbsp;Prof. Jinquan Chen","doi":"10.1002/cptc.202400108","DOIUrl":"10.1002/cptc.202400108","url":null,"abstract":"<p>9-Phenylacridine (9-PA) is an important acridine-based medicine that has been proven to possess significant anticancer activity and can be used as a photodynamic therapy (PDT) agent. Meanwhile, the possible twisting of the C−C single bond at the C9 position after photo-excitation makes it a potential probe responsive to changes in the viscosity of living cells. However, the photophysical properties of 9-PA is poorly understood. In this study, we utilized femtosecond time-resolved spectroscopy combined with quantum chemical calculation methods to investigate the excited state dynamics of 9-PA in solutions with different viscosities. Notably, we demonstrated that the viscosity could strongly influence the deactivation pathway of the initially populated S<sub>1</sub> (ππ*) state of 9-PA. In low-viscosity solutions, the single bond at the C9 could twist after photo-excitation, leading to a conformation that shows efficient intersystem crossing. However, such process is suppressed in high-viscosity solutions, resulting a ~2.5 times higher internal conversion (IC) yield. A full picture of the excited state deactivation mechanism of 9-PA is proposed.</p>","PeriodicalId":10108,"journal":{"name":"ChemPhotoChem","volume":"8 9","pages":""},"PeriodicalIF":3.0,"publicationDate":"2024-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140801225","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
Selective Conversion of Furfural to Furfuryl Alcohol by Heterogeneous TiO2 Photocatalysis 利用异相二氧化钛光催化技术将糠醛选择性转化为糠醇
IF 3 4区 化学
ChemPhotoChem Pub Date : 2024-04-25 DOI: 10.1002/cptc.202400062
Joana C. Lopes, Dr. Maria J. Sampaio, Prof. Cláudia G. Silva, Prof. Joaquim L. Faria
{"title":"Selective Conversion of Furfural to Furfuryl Alcohol by Heterogeneous TiO2 Photocatalysis","authors":"Joana C. Lopes,&nbsp;Dr. Maria J. Sampaio,&nbsp;Prof. Cláudia G. Silva,&nbsp;Prof. Joaquim L. Faria","doi":"10.1002/cptc.202400062","DOIUrl":"10.1002/cptc.202400062","url":null,"abstract":"<p>Selective synthesis of furfuryl alcohol from furfural conversion via semiconductor photocatalytic route has appeared as a promising solution for transforming biomass into high-value-added products under mild temperature and pressure conditions. Titanium dioxide (TiO<sub>2</sub>) photocatalysts were prepared by a simple sol-gel method followed by a calcination treatment ranging from 500–1000 °C, resulting in materials with distinct physicochemical properties. The photocatalytic efficiency of the TiO<sub>2</sub> samples was examined in the selective production of furfuryl alcohol from furfural under UV-LED irradiation. The influence of various organic solvents, including ethanol, methanol, 2-propanol, and acetonitrile, was evaluated to optimise the selectivity towards furfuryl alcohol production. Photocatalysts with larger anatase to rutile ratio and increased density of oxygen vacancies (defects) exhibited superior performance for furfuryl alcohol production. The presence of these defects on the catalyst surface leads to a significant enhancement in the photocatalytic efficiency by acting as crucial active sites. Among the TiO<sub>2</sub> samples, the highest conversion of furfural into furfuryl alcohol was observed with the TiO<sub>2</sub> sample calcined under an air atmosphere at 600 °C (TiO<sub>2</sub>-600), achieving 85 % yield and 100 % selectivity for furfural after 30 min reaction using ethanol as solvent.</p>","PeriodicalId":10108,"journal":{"name":"ChemPhotoChem","volume":"8 9","pages":""},"PeriodicalIF":3.0,"publicationDate":"2024-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cptc.202400062","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140658726","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Methoxylated bis(pentafluorophenyl)boron-β-diketonates: Synthesis, Optical Properties and Hydrolytic Stability 甲氧基化双(五氟苯基)硼-β-二酮:合成、光学特性和水解稳定性
IF 3 4区 化学
ChemPhotoChem Pub Date : 2024-04-23 DOI: 10.1002/cptc.202300317
Maxim V. Filippov, Yuriy N. Kononevich, Dmitry S. Ionov, Andrey A. Safonov, Anastasia I. Karnaeva, Viacheslav A. Sazhnikov, Mikhail V. Alfimov, Aziz M. Muzafarov
{"title":"Methoxylated bis(pentafluorophenyl)boron-β-diketonates: Synthesis, Optical Properties and Hydrolytic Stability","authors":"Maxim V. Filippov,&nbsp;Yuriy N. Kononevich,&nbsp;Dmitry S. Ionov,&nbsp;Andrey A. Safonov,&nbsp;Anastasia I. Karnaeva,&nbsp;Viacheslav A. Sazhnikov,&nbsp;Mikhail V. Alfimov,&nbsp;Aziz M. Muzafarov","doi":"10.1002/cptc.202300317","DOIUrl":"10.1002/cptc.202300317","url":null,"abstract":"<p>A series of methoxylated bis(pentafluorophenyl)boron-<i>β</i>-diketonates (dkB(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>) with intense emission has been synthesized and characterized by a variety of physicochemical methods. The photophysical properties of the synthesized compounds were thoroughly investigated by electronic absorption, steady-state, and time-resolved fluorescence spectroscopy in both solution and solid state. The studied compounds exhibit solvatochromic behavior attributed to the intramolecular charge transfer (ICT) nature of the first excited state. The formation of exciplexes between DBMB(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub> and benzene derivatives was also studied. Notably, the studied compounds display a complex luminescence profile in the solid state, featuring fluorescence, delayed fluorescence and phosphorescence emission. Furthermore, the hydrolytical stability of the complexes was assessed, demonstrating excellent resistance to hydrolysis. Estimated rate constants, determined at 60 °C, are significantly lower (90-2000 times) than those observed for the well-studied dibenzoylmethanatoboron difluoride (DBMBF<sub>2</sub>). The incorporation of pentafluorophenyl substituents at the boron atom enables the synthesis of highly fluorescent and hydrolytically stable boron chelate complexes, suitable for sensing and bioimaging applications in water-containing environments.</p>","PeriodicalId":10108,"journal":{"name":"ChemPhotoChem","volume":"8 9","pages":""},"PeriodicalIF":3.0,"publicationDate":"2024-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140666300","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
Preparation of Light-responsive Unnatural RNA Bases via a Chromogenic Morita-Baylis-Hillman Adduct Path 通过变色莫里塔-贝利斯-希尔曼加成途径制备光反应非天然 RNA 碱基
IF 3 4区 化学
ChemPhotoChem Pub Date : 2024-04-23 DOI: 10.1002/cptc.202400093
Dr. Matteo Lami, Dr. Leonardo Barneschi, Dr. Mario Saletti, Prof. Dr. Massimo Olivucci, Prof. Dr. Andrea Cappelli, Prof. Dr. Marco Paolino
{"title":"Preparation of Light-responsive Unnatural RNA Bases via a Chromogenic Morita-Baylis-Hillman Adduct Path","authors":"Dr. Matteo Lami,&nbsp;Dr. Leonardo Barneschi,&nbsp;Dr. Mario Saletti,&nbsp;Prof. Dr. Massimo Olivucci,&nbsp;Prof. Dr. Andrea Cappelli,&nbsp;Prof. Dr. Marco Paolino","doi":"10.1002/cptc.202400093","DOIUrl":"10.1002/cptc.202400093","url":null,"abstract":"<p>RNA-based tools for biological and pharmacological research are raising an increasing interest. Among these, RNA aptamers whose biological activity can be controlled via illumination with specific wavelengths represent an important target. Here, we report on a proof-of-principle study supporting the viability of a systematic use of Morita-Baylis-Hillman adducts (MBHAs) for the synthesis of light-responsive RNA building blocks. Accordingly, a specific acetylated MBHA derivative was employed in the functionalization of the four natural RNA bases as well as two unnatural bases (5-aminomethyl uracil and 5-methylaminomethyl uracil). The results reveal a highly selective functionalization for both unnatural bases. The conjugation products were then investigated spectroscopically, photochemically and computationally. It is shown that when a single light-responsive unit is present (i. e. when using 5-methylaminomethyl uracil), the generated unnatural uracil behaves like a cinnamic-framework-based photochemical switch that isomerizes upon illumination through a biomimetic light-induced intramolecular charge transfer mechanism driving a barrierless and, therefore, ultrafast reaction path.</p>","PeriodicalId":10108,"journal":{"name":"ChemPhotoChem","volume":"8 9","pages":""},"PeriodicalIF":3.0,"publicationDate":"2024-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140666352","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
How Inert is Single-Stranded DNA Towards DNA-Stabilized Silver Nanoclusters? A Case Study 单链 DNA 对 DNA 稳定的纳米银团簇的惰性如何?案例研究。
IF 3 4区 化学
ChemPhotoChem Pub Date : 2024-04-22 DOI: 10.1002/cptc.202400014
Vanessa Rück, Cecilia Cerretani, Tom Vosch
{"title":"How Inert is Single-Stranded DNA Towards DNA-Stabilized Silver Nanoclusters? A Case Study","authors":"Vanessa Rück,&nbsp;Cecilia Cerretani,&nbsp;Tom Vosch","doi":"10.1002/cptc.202400014","DOIUrl":"10.1002/cptc.202400014","url":null,"abstract":"<p>A case study, detailing the effect of different DNA oligomers on a NIR-emitting DNA-stabilized silver nanocluster (DNA-AgNC), is reported. The presence of single-stranded DNA oligomers was found to adversely affect the chemical stability of (DNA)<sub>2</sub>[Ag<sub>16</sub>Cl<sub>2</sub>]<sup>8+</sup> with distinct degrees of destruction depending on the DNA sequence. To increase the chemical stability of the DNA-AgNC, we implemented two protection strategies. First, hybridization of the bare DNA strands with the corresponding complementary sequences dramatically reduced the destruction of (DNA)<sub>2</sub>[Ag<sub>16</sub>Cl<sub>2</sub>]<sup>8+</sup>, as demonstrated by the decreased drops in both the absorption and emission spectra. Secondly, saturation of the free DNA oligomers with silver cations left (DNA)<sub>2</sub>[Ag<sub>16</sub>Cl<sub>2</sub>]<sup>8+</sup> intact. Our investigation can thus provide an easy-to-implement approach to discover DNA sequences that are intrinsically less reactive towards preformed DNA-AgNCs, and give an idea on how to protect DNA-AgNCs from bare DNA strands.</p>","PeriodicalId":10108,"journal":{"name":"ChemPhotoChem","volume":"8 9","pages":""},"PeriodicalIF":3.0,"publicationDate":"2024-04-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cptc.202400014","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140677541","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Impact of Surrounding Environment on Hot-Exciton Based Organic Emitters for TADF Applications 周围环境对基于热激子的 TADF 应用有机发射器的影响
IF 3 4区 化学
ChemPhotoChem Pub Date : 2024-04-18 DOI: 10.1002/cptc.202400073
Jesni M. Jacob, Dr. Mahesh Kumar Ravva
{"title":"Impact of Surrounding Environment on Hot-Exciton Based Organic Emitters for TADF Applications","authors":"Jesni M. Jacob,&nbsp;Dr. Mahesh Kumar Ravva","doi":"10.1002/cptc.202400073","DOIUrl":"10.1002/cptc.202400073","url":null,"abstract":"<p>Understanding thermally activated delayed fluorescence (TADF) in solid-state environments is crucial for practical applications. However, limited research focuses on how the medium affects TADF properties of hot-exciton-based emitters. In our study, we calculated and compared reverse intersystem crossing, radiative, and non-radiative decay rates of TADF emitters in gas, solvent, and solid phases. The designed emitters have a donor-acceptor-donor (D-A-D) structure, with donors such as triphenylamine (TPA) and diphenylamine thiophene (ThPA), combined with acceptors such as benzothiadiazole (BT), pyridine thiadiazole (PT) and thiadiazolobenzopyridine (NPT). We model the solvent and solid phases with the polarizable continuum model (PCM) and quantum mechanical/molecular mechanics (QM/MM) methods, respectively. Using density functional theory (DFT) and time-dependent DFT, we analyze how TADF emitters′ geometrical, electronic, and excited-state properties vary in these phases. Our results show that the solid-state environment significantly influences the geometry and TADF properties of emitters. In the presence of solid medium, our study indicates that non-radiative decay rates tend to be slower. On the other hand, radiative emission rates were found to be less influenced by the properties of the surrounding medium. Overall, our study connects emitter chemical structure and the surrounding environment‘s impact on excited-state characteristics and photochemical properties.</p>","PeriodicalId":10108,"journal":{"name":"ChemPhotoChem","volume":"8 9","pages":""},"PeriodicalIF":3.0,"publicationDate":"2024-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140628382","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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