Xinru Hu, Yan Dong, Yuyang Zhang, Xiaohua Chen, Chuanbao Yuan, Danyang Wang, Xuhong Qian, Xiao Luo, Youjun Yang
Bright deep‐NIR dyes are actively sought after for their potential in fluorescence‐guided surgery and disease theranostics. The major bottleneck lies with the rigidification of the conjugative backbone to suppress non‐radiative deactivation. EC5 is a notable deep‐NIR absorbing/emitting scaffold, which we first reported in 2017. We recently discovered that its diphenyl ether moiety exhibited structural freedom, which was detrimental to its fluorescence brightness. We proposed to enhance the structural rigidity of EC5 via ring‐contraction, i.e., changing the diphenyl ether moiety of EC5E into a biphenyl of EC5B, its low‐frequency normal modes were largely suppressed as predicted by theoretical calculations, and a 55.0% increase of fluorescence brightness in CH2Cl2 was rendered experimentally. The bright EC5B was feasible for high‐contrast in vivo imaging. EC5B has broad potential in practical biomedical applications.
{"title":"Optimization of the Structural Rigidity of a Deep‐NIR Scaffold for Bioimaging","authors":"Xinru Hu, Yan Dong, Yuyang Zhang, Xiaohua Chen, Chuanbao Yuan, Danyang Wang, Xuhong Qian, Xiao Luo, Youjun Yang","doi":"10.1002/cptc.202400156","DOIUrl":"https://doi.org/10.1002/cptc.202400156","url":null,"abstract":"Bright deep‐NIR dyes are actively sought after for their potential in fluorescence‐guided surgery and disease theranostics. The major bottleneck lies with the rigidification of the conjugative backbone to suppress non‐radiative deactivation. EC5 is a notable deep‐NIR absorbing/emitting scaffold, which we first reported in 2017. We recently discovered that its diphenyl ether moiety exhibited structural freedom, which was detrimental to its fluorescence brightness. We proposed to enhance the structural rigidity of EC5 via ring‐contraction, i.e., changing the diphenyl ether moiety of EC5E into a biphenyl of EC5B, its low‐frequency normal modes were largely suppressed as predicted by theoretical calculations, and a 55.0% increase of fluorescence brightness in CH2Cl2 was rendered experimentally. The bright EC5B was feasible for high‐contrast in vivo imaging. EC5B has broad potential in practical biomedical applications.","PeriodicalId":10108,"journal":{"name":"ChemPhotoChem","volume":"215 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141868705","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}
Natural ion‐transporters in cellular membranes play a critical role in maintaining cell homeostasis. Synthetic ion‐transporters are attractive model systems for understanding and addressing dysfunction of natural transporters. Herein, a simple amide derived from azobenzene and m‐aminobenzoic acid achieves photoregulated ion transport across lipid membranes. The amide forms pores or channels that selectively co‐transport H+/X– across the lipid membrane. Photoisomerization from the trans to cis form results in a 2‐fold increase in ion‐transport rates due to the higher proton affinity of the cis isomer.
{"title":"H+/X– Co‐Transport Driven by Azobenzene Containing Aromatic Amides","authors":"Sameer Ahmad Malik, Nandita Madhavan","doi":"10.1002/cptc.202400179","DOIUrl":"https://doi.org/10.1002/cptc.202400179","url":null,"abstract":"Natural ion‐transporters in cellular membranes play a critical role in maintaining cell homeostasis. Synthetic ion‐transporters are attractive model systems for understanding and addressing dysfunction of natural transporters. Herein, a simple amide derived from azobenzene and m‐aminobenzoic acid achieves photoregulated ion transport across lipid membranes. The amide forms pores or channels that selectively co‐transport H+/X– across the lipid membrane. Photoisomerization from the trans to cis form results in a 2‐fold increase in ion‐transport rates due to the higher proton affinity of the cis isomer.","PeriodicalId":10108,"journal":{"name":"ChemPhotoChem","volume":"360 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141868865","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}
Wen Yao, Xiaojuan Song, Lin Xue, Shanshan Liu, Linglong Tang, Heyuan Liu, Yanli Chen, Xiyou Li
Triplet‐triplet annihilation upconversion (TTA‐UC) technology could convert low‐energy light into high‐energy light, and it is a very promising one of the upconversion technologies due to its non‐coherent excitation light, low required excitation optical power density and sensitizer/annihilator flexible adjustability. The application of TTA‐UC into photocatalysis could not only broaden the range of solar energy spectrum utilization, but also bring mild reaction conditions and higher product yields via avoiding the side reaction. However, the detailed catalytic mechanism of TTA‐UC is unclear. Therefore, in this review, we summarized and classified TTA‐UC photocatalytic chemical reactions in terms of mechanism.
{"title":"Classification and summary of photocatalytic chemical reactions driven by triplet‐triplet annihilation upconversion","authors":"Wen Yao, Xiaojuan Song, Lin Xue, Shanshan Liu, Linglong Tang, Heyuan Liu, Yanli Chen, Xiyou Li","doi":"10.1002/cptc.202400184","DOIUrl":"https://doi.org/10.1002/cptc.202400184","url":null,"abstract":"Triplet‐triplet annihilation upconversion (TTA‐UC) technology could convert low‐energy light into high‐energy light, and it is a very promising one of the upconversion technologies due to its non‐coherent excitation light, low required excitation optical power density and sensitizer/annihilator flexible adjustability. The application of TTA‐UC into photocatalysis could not only broaden the range of solar energy spectrum utilization, but also bring mild reaction conditions and higher product yields via avoiding the side reaction. However, the detailed catalytic mechanism of TTA‐UC is unclear. Therefore, in this review, we summarized and classified TTA‐UC photocatalytic chemical reactions in terms of mechanism.","PeriodicalId":10108,"journal":{"name":"ChemPhotoChem","volume":"94 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-07-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141770951","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
In an era marked by growing emphasis on sustainability and innovation, the quest for eco‐friendly energy conversion devices capable of harnessing visible light has gained paramount importance. In response to this critical demand, we demonstrate visible light‐responsive photoswitching from molybdenum trioxide nanobelt arrays in the photoconductive device fabricated using solution‐processing technique. We exploit the visible light‐driven modulation of conductivity in the reversibly switchable photochromic state of MoO3 to fabricate a photochromism‐assisted photoconductive photodetector with fast response (< 0.1 s), significant on/off ratio and excellent responsivity (41 AW‐1) at 5 V. The light harvesting strategy presented herein holds the potential for efficient energy generation by harnessing visible light, even under low‐light conditions.
在这个日益强调可持续发展和创新的时代，寻求能够利用可见光的生态友好型能源转换设备变得至关重要。为了满足这一关键需求，我们在利用溶液处理技术制造的光电导器件中展示了三氧化钼纳米带阵列的可见光响应光开关。我们利用可见光驱动的 MoO3 可逆切换光致变色态的电导率调制，制造出一种光致变色辅助光电导光电探测器，在 5 V 电压下具有快速响应（0.1 秒）、显著的开/关比和出色的响应率（41 AW-1）。本文介绍的光收集策略有望通过利用可见光实现高效能源生产，即使在弱光条件下也是如此。
{"title":"Eco‐friendly Visible Wavelength PhotodetectorsBasedon Colloidal Molybdenum Trioxide Nanobelt Arrays","authors":"D. S. Ivan Jebakumar, Vallabha Rao Rikka","doi":"10.1002/cptc.202400038","DOIUrl":"https://doi.org/10.1002/cptc.202400038","url":null,"abstract":"In an era marked by growing emphasis on sustainability and innovation, the quest for eco‐friendly energy conversion devices capable of harnessing visible light has gained paramount importance. In response to this critical demand, we demonstrate visible light‐responsive photoswitching from molybdenum trioxide nanobelt arrays in the photoconductive device fabricated using solution‐processing technique. We exploit the visible light‐driven modulation of conductivity in the reversibly switchable photochromic state of MoO3 to fabricate a photochromism‐assisted photoconductive photodetector with fast response (< 0.1 s), significant on/off ratio and excellent responsivity (41 AW‐1) at 5 V. The light harvesting strategy presented herein holds the potential for efficient energy generation by harnessing visible light, even under low‐light conditions.","PeriodicalId":10108,"journal":{"name":"ChemPhotoChem","volume":"41 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141770952","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}
Marine Labro, Audrey Pollien, Maëlle Mosser, Delphine Pitrat, Jean-Christophe Mulatier, Mathilde Seinfeld, Tangui Le Bahers, Bruno Baguenard, Stéphan Guy, Cyrille Monnereau, Laure Guy
This article reports a detailed mechanistic and kinetic study of an unusual photoreaction leading to the (diazonia)tetrabenzonaphthacene skeleton. The photo‐triggered double intramolecular nucleophilic aromatic substitution (SNAr∗) has been investigated by varying the leaving groups. Photoreaction quantum yields have been determined and mechanistic insights have been supported by theoretical calculations using DFT and TD‐DFT methods. Additionally, we show that this light‐triggered formed diazonia constitutes a potent photosentitizer with a singlet oxygen generation quantum yield of 55 %, both in organic solvents and in water, which is an extremely relevant value in view of PDT applications or use as an oxidation photocatalyst in aqueous media. Once again, the experimental observations were supported by TD‐DFT calculations showing a large density of triplet states below the S1 excited state along with large spin‐orbit couplings. The reaction is not restricted to solutions but can also occur in solid PDMS matrices thus allowing for photochemical encoding of information that will progressively vanish upon prolonged UV‐exposure.
{"title":"A Photoinduced Annulation Strategy Towards a Novel Polycyclic Heteroaromatic Chromophore: Scope, Mechanism, Properties and Applications.","authors":"Marine Labro, Audrey Pollien, Maëlle Mosser, Delphine Pitrat, Jean-Christophe Mulatier, Mathilde Seinfeld, Tangui Le Bahers, Bruno Baguenard, Stéphan Guy, Cyrille Monnereau, Laure Guy","doi":"10.1002/cptc.202400199","DOIUrl":"https://doi.org/10.1002/cptc.202400199","url":null,"abstract":"This article reports a detailed mechanistic and kinetic study of an unusual photoreaction leading to the (diazonia)tetrabenzonaphthacene skeleton. The photo‐triggered double intramolecular nucleophilic aromatic substitution (SNAr∗) has been investigated by varying the leaving groups. Photoreaction quantum yields have been determined and mechanistic insights have been supported by theoretical calculations using DFT and TD‐DFT methods. Additionally, we show that this light‐triggered formed diazonia constitutes a potent photosentitizer with a singlet oxygen generation quantum yield of 55 %, both in organic solvents and in water, which is an extremely relevant value in view of PDT applications or use as an oxidation photocatalyst in aqueous media. Once again, the experimental observations were supported by TD‐DFT calculations showing a large density of triplet states below the S1 excited state along with large spin‐orbit couplings. The reaction is not restricted to solutions but can also occur in solid PDMS matrices thus allowing for photochemical encoding of information that will progressively vanish upon prolonged UV‐exposure.","PeriodicalId":10108,"journal":{"name":"ChemPhotoChem","volume":"152 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141771196","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}
Shiyin Wang, Daojie Yang, Haichao Liu, Shi-Tong Zhang, Bing Yang
π–π stacking interactions are generally thought to reduce the luminescence of materials. Here, a systematic investigation is conducted using a π–π stacking dimer with varying steric hindrance substituents as a model to illustrate how π–π stacking structure affects the luminescence efficiency of materials. Four naphthalimide (NI) derivative molecules were designed and synthesized by incorporating sterically hindered unilateral groups to achieve NIPH, NIP1C, NIP2C, and NIP3C. It was figured out that side group modification did affect their crystal packing structures and luminescent properties. On the one hand, the excimer state formed by strongly interacted π−π NI‐based dimer (NIPH and NIP3C) enhances luminescence efficiency compared to the monomer state based on weakly interacted π−π NI‐based dimers (NIP1C and NIP2C). On the other hand, the discrete stacking of NI‐based dimers (NIP3C) further promotes luminescence efficiency compared to the nondiscrete stacking of NI‐based dimers (NIPH). Among these four compounds, NIP3C exhibits discrete stacking of π−π NI‐based dimer due to the large steric hindrance generated by propyl benzene, resulting in the highest photoluminescence quantum efficiency of the NIP3C crystal. This work will provide further insight into the underlying mechanisms behind the high luminescence efficiency induced by π–π dimer stacking.
π-π堆积相互作用通常被认为会降低材料的发光性能。在此，我们以具有不同立体阻碍取代基的π-π堆积二聚体为模型进行了系统研究，以说明π-π堆积结构如何影响材料的发光效率。通过加入立体受阻的单侧基团，设计并合成了四种萘二甲酰亚胺（NI）衍生物分子，实现了 NIPH、NIP1C、NIP2C 和 NIP3C。研究发现，侧基修饰确实会影响它们的晶体堆积结构和发光特性。一方面，与基于弱相互作用π-π NI 的二聚体（NIP1C 和 NIP2C）的单体状态相比，基于强相互作用π-π NI 的二聚体（NIPH 和 NIP3C）形成的准分子状态提高了发光效率。另一方面，与非离散堆积的 NI 基二聚体（NIPH）相比，离散堆积的 NI 基二聚体（NIP3C）可进一步提高发光效率。在这四种化合物中，NIP3C 因丙基苯产生的巨大立体阻碍而表现出π-π NI 基二聚体的离散堆积，从而使 NIP3C 晶体的光量子效率最高。这项工作将使人们进一步了解π-π二聚体堆积诱导高发光效率背后的潜在机制。
{"title":"Excimer‐Induced Efficient Luminescence by Discrete Intermolecular π–π Stacking of Naphthalimide‐Based Dimer","authors":"Shiyin Wang, Daojie Yang, Haichao Liu, Shi-Tong Zhang, Bing Yang","doi":"10.1002/cptc.202400097","DOIUrl":"https://doi.org/10.1002/cptc.202400097","url":null,"abstract":"π–π stacking interactions are generally thought to reduce the luminescence of materials. Here, a systematic investigation is conducted using a π–π stacking dimer with varying steric hindrance substituents as a model to illustrate how π–π stacking structure affects the luminescence efficiency of materials. Four naphthalimide (NI) derivative molecules were designed and synthesized by incorporating sterically hindered unilateral groups to achieve NIPH, NIP1C, NIP2C, and NIP3C. It was figured out that side group modification did affect their crystal packing structures and luminescent properties. On the one hand, the excimer state formed by strongly interacted π−π NI‐based dimer (NIPH and NIP3C) enhances luminescence efficiency compared to the monomer state based on weakly interacted π−π NI‐based dimers (NIP1C and NIP2C). On the other hand, the discrete stacking of NI‐based dimers (NIP3C) further promotes luminescence efficiency compared to the nondiscrete stacking of NI‐based dimers (NIPH). Among these four compounds, NIP3C exhibits discrete stacking of π−π NI‐based dimer due to the large steric hindrance generated by propyl benzene, resulting in the highest photoluminescence quantum efficiency of the NIP3C crystal. This work will provide further insight into the underlying mechanisms behind the high luminescence efficiency induced by π–π dimer stacking.","PeriodicalId":10108,"journal":{"name":"ChemPhotoChem","volume":"63 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141770955","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}
Komal Trivedi, Bhanupriya Yadav, Rohit Shrivastav, Chetan K. Modi
This work introduces a novel ternary heterostructure as a photocatalyst to selectively produce benzaldehyde from benzyl alcohol through photooxidation. We have synthesized bismuth vanadate functionalized graphitic carbon nitride decorated reduced graphene oxide B/CN@rGO ternary composite and subsequently subjected it to several characterization methodologies like XRD, FE‐SEM, HR‐TEM, XPS, FT‐IR, TGA, UV‐vis DRS, and EIS. The synthesized B/CN@rGO was effectively used in the photooxidation process to produce benzaldehyde from benzyl alcohol, employing a cost‐effective white LED light of 200 W. Remarkable selectivity (100%) towards the benzaldehyde was attained employing green oxidant H2O2. In addition, the synthesized photocatalyst showed unique thermal stability and could be reused for over five cycles without compromising the selectivity of the resulting product. Based on our comprehensive review of the existing study, the present work introduces a unique approach for the photooxidation of benzyl alcohol, employing B/CN@rGO ternary heterostructure as the photocatalyst.
本研究介绍了一种新型三元异质结构光催化剂，可通过光氧化作用从苯甲醇中选择性地生成苯甲醛。我们合成了钒酸铋官能化的氮化石墨装饰还原氧化石墨烯 B/CN@rGO 三元复合材料，并随后对其进行了多种表征方法，如 XRD、FE-SEM、HR-TEM、XPS、傅立叶变换红外光谱、TGA、紫外可见 DRS 和 EIS。合成的 B/CN@rGO 被有效地用于光氧化过程，利用 200 W 的高性价比白光 LED 灯从苯甲醇中生成苯甲醛。此外，合成的光催化剂还表现出独特的热稳定性，可重复使用五次以上，而不会影响所得产物的选择性。在全面回顾现有研究的基础上，本研究采用 B/CN@rGO 三元异质结构作为光催化剂，为苯甲醇的光氧化引入了一种独特的方法。
{"title":"Synthesis of Ternary Photoactive Heterojunction B/CN@rGO for Visible Light Driven Selective Photooxidation of Benzyl Alcohol","authors":"Komal Trivedi, Bhanupriya Yadav, Rohit Shrivastav, Chetan K. Modi","doi":"10.1002/cptc.202400171","DOIUrl":"https://doi.org/10.1002/cptc.202400171","url":null,"abstract":"This work introduces a novel ternary heterostructure as a photocatalyst to selectively produce benzaldehyde from benzyl alcohol through photooxidation. We have synthesized bismuth vanadate functionalized graphitic carbon nitride decorated reduced graphene oxide B/CN@rGO ternary composite and subsequently subjected it to several characterization methodologies like XRD, FE‐SEM, HR‐TEM, XPS, FT‐IR, TGA, UV‐vis DRS, and EIS. The synthesized B/CN@rGO was effectively used in the photooxidation process to produce benzaldehyde from benzyl alcohol, employing a cost‐effective white LED light of 200 W. Remarkable selectivity (100%) towards the benzaldehyde was attained employing green oxidant H2O2. In addition, the synthesized photocatalyst showed unique thermal stability and could be reused for over five cycles without compromising the selectivity of the resulting product. Based on our comprehensive review of the existing study, the present work introduces a unique approach for the photooxidation of benzyl alcohol, employing B/CN@rGO ternary heterostructure as the photocatalyst.","PeriodicalId":10108,"journal":{"name":"ChemPhotoChem","volume":"1 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141613713","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}
The development of highly efficient deep red materials with emission wavelength beyond 650 nm remains a big challenge due to the constraints imposed by the energy gap rule. In this work, a donor‐acceptor‐donor type emitter, 4,7‐bis(10‐(4‐(tert‐butyl)phenyl)‐10H‐phenothiazin‐3‐yl)benzo[c][1,2,5]thiadiazole (TBPPTZ) is designed and synthesized. Resulting from the slight twist angle between the donor and acceptor units, TBPPTZ exhibits nearly planar conformation and an extended conjugated structure. TBPPTZ shows a deep red emission peak at 687 nm and aggregation induced emission property with a high photoluminescence quantum yield of 45% in neat thin film. The optimized organic light‐emitting diode (OLEDs) utilizing TBPPTZ as the non‐doped emissive layer obtains a high external quantum efficiency (EQE) up to 2.51% with an electroluminescence (EL) peak at 676 nm, aligning with the Commission Internationale de L’Eclairage (CIE) coordinates (0.68, 0.31), which shows a small EQE roll‐off of only 5.6% at 100 cd m‐2. Additionally, the doped OLED achieves an EQE up to 5.09%, with an EL peak at 656 nm and CIE coordinates of (0.65, 0.34). The findings of this research not only contribute to achieve highly efficient deep red OLEDs but also offer a novel and effective deep red molecular strategy to realize high‐quality OLEDs.
{"title":"High‐Efficiency Deep Red Fluorescent Material with Aggregation Induced Emission and the Application in Organic Light‐Emitting Diodes","authors":"Hui Liu, Hanyuan Zhang, Yuanyuan Pu, Zhi Li, Liang Wan, Shuyuan Ge, Xiaobo Ma, Futong Liu, Ping Lu","doi":"10.1002/cptc.202400098","DOIUrl":"https://doi.org/10.1002/cptc.202400098","url":null,"abstract":"The development of highly efficient deep red materials with emission wavelength beyond 650 nm remains a big challenge due to the constraints imposed by the energy gap rule. In this work, a donor‐acceptor‐donor type emitter, 4,7‐bis(10‐(4‐(tert‐butyl)phenyl)‐10H‐phenothiazin‐3‐yl)benzo[c][1,2,5]thiadiazole (TBPPTZ) is designed and synthesized. Resulting from the slight twist angle between the donor and acceptor units, TBPPTZ exhibits nearly planar conformation and an extended conjugated structure. TBPPTZ shows a deep red emission peak at 687 nm and aggregation induced emission property with a high photoluminescence quantum yield of 45% in neat thin film. The optimized organic light‐emitting diode (OLEDs) utilizing TBPPTZ as the non‐doped emissive layer obtains a high external quantum efficiency (EQE) up to 2.51% with an electroluminescence (EL) peak at 676 nm, aligning with the Commission Internationale de L’Eclairage (CIE) coordinates (0.68, 0.31), which shows a small EQE roll‐off of only 5.6% at 100 cd m‐2. Additionally, the doped OLED achieves an EQE up to 5.09%, with an EL peak at 656 nm and CIE coordinates of (0.65, 0.34). The findings of this research not only contribute to achieve highly efficient deep red OLEDs but also offer a novel and effective deep red molecular strategy to realize high‐quality OLEDs.","PeriodicalId":10108,"journal":{"name":"ChemPhotoChem","volume":"33 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141613720","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
In microcavity, strong coupling between light and molecules leads to the formation of hybrid excitations, i.e., the polaritons, or exciton‐polaritons. Such coupling may alter the energy landscape of the system and the optical properties of the material, making it an effective approach for controlling the light emission from molecular materials. However, due to the complexity of vibrational modes, spectroscopic calculations for organic exciton‐polaritons remain to be challenging. In this work, based on the linear‐response quantum‐electrodynamical time‐dependent density functional theory (QED‐TDDFT), we employ the thermal vibrational correlation function (TVCF) formalism to calculate the molecular optical spectrum of the lower polaritons (LP) at first‐principles level for three molecules, i.e., anthracene, distyrylbenzenes (DSB), and rubrene. The polaron decoupling effect is confirmed from our first‐principles computations. The theoretical emission spectra of LP provide fruitful insights for molecular and device design in microcavities that are otherwise hindered due to the lack of vibrational information.
{"title":"Optical Emission Spectra of Molecular Excitonic Polariton Computed at the First‐Principles Level QED‐TDDFT","authors":"Shanhao Deng, Junjie Yang, Yihan Shao, Qi Ou, Zhigang Shuai","doi":"10.1002/cptc.202400117","DOIUrl":"https://doi.org/10.1002/cptc.202400117","url":null,"abstract":"In microcavity, strong coupling between light and molecules leads to the formation of hybrid excitations, i.e., the polaritons, or exciton‐polaritons. Such coupling may alter the energy landscape of the system and the optical properties of the material, making it an effective approach for controlling the light emission from molecular materials. However, due to the complexity of vibrational modes, spectroscopic calculations for organic exciton‐polaritons remain to be challenging. In this work, based on the linear‐response quantum‐electrodynamical time‐dependent density functional theory (QED‐TDDFT), we employ the thermal vibrational correlation function (TVCF) formalism to calculate the molecular optical spectrum of the lower polaritons (LP) at first‐principles level for three molecules, i.e., anthracene, distyrylbenzenes (DSB), and rubrene. The polaron decoupling effect is confirmed from our first‐principles computations. The theoretical emission spectra of LP provide fruitful insights for molecular and device design in microcavities that are otherwise hindered due to the lack of vibrational information.","PeriodicalId":10108,"journal":{"name":"ChemPhotoChem","volume":"34 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2024-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141584572","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}
Jiawei Liu, Dr. Cheng Chen, Anatolii I. Sokolov, Dr. Mikhail S. Baranov, Prof. Dr. Chong Fang
The Front Cover illustrates ultrafast spectroscopic insights into photoexcited energy relaxation pathways of the cationic green fluorescent protein (GFP) chromophore derivatives in aqueous solution. The electron-withdrawing and electron-donating groups (EWGs and EDGs) notably affect the ring-twisting rates on femtosecond-to-picosecond timescales, whereas excited-state proton transfer (ESPT) to solvent molecules occurs more rapidly in competition. Cover design by Jiawei Liu, Cheng Chen, and Chong Fang. More information can be found in their Research Article (DOI 10.1002/cptc.202400037).
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