Dyes and Pigments最新文献

{"title":"Frustrated molecular stacking enables NIR perylenediimide photosensitizers with balanced energy dissipation pathways for tumor photodynamic therapy","authors":"Chao Fu ,&nbsp;Wei Zhao ,&nbsp;Hongmian Yu,&nbsp;Xiruo Li,&nbsp;Jiayi Li,&nbsp;Guoqi Chen,&nbsp;Yuli Yin,&nbsp;Rong Hu","doi":"10.1016/j.dyepig.2025.113195","DOIUrl":"10.1016/j.dyepig.2025.113195","url":null,"abstract":"<div><div>The construction of organic photosensitizers with near infrared (NIR) emission has shown great promise for precise therapeutic applications. However, fluorescence imaging and phototherapy efficacy are dependent on competitive photophysical processes, so it is still a great challenge to engineer photosensitizer with appreciable light emission especially in the NIR light region, and highly efficient energy conversion into valuable reactive oxygen species. In this paper, we report series of simple perylene diimide (PDI)-based NIR photosensitizers by regulating the position of a phenyl moiety in the donor-acceptor-donor conjugated backbone, a packing balance between the twisted molecular structure and effective π-conjugation is actualized. Photodynamic property observation reveals that the developed fluorophores present desirable photosensitizing ability with the production of both type I and II reactive oxygen species (ROS) under light irradiation, and the eradication of tumor cells is realized based on ferroptosis mechanism. Moreover, the bright emission in NIR region allows for the sensitive detection of pulmonary metastasis <em>in vivo</em>. These results provide an illuminating NIR photosensitizers design strategy for image-guided tumor photodynamic therapy applications.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"245 ","pages":"Article 113195"},"PeriodicalIF":4.2,"publicationDate":"2025-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144921918","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Thiophene-pyrrole fused benzothiadiazole guest-host dyes for electrically switchable liquid crystal windows","authors":"Jinhu Yuan ,&nbsp;Shengbo Zhu ,&nbsp;Jian Li ,&nbsp;Lingchao Mo ,&nbsp;Xiao Song ,&nbsp;Xiaoling Niu ,&nbsp;Yongliang Liu ,&nbsp;Juanli Li ,&nbsp;Minggang Hu ,&nbsp;Zhongchen Yang ,&nbsp;Boxin He","doi":"10.1016/j.dyepig.2025.113198","DOIUrl":"10.1016/j.dyepig.2025.113198","url":null,"abstract":"<div><div>Dichroic dye-doped liquid crystal (DLC) dimmable glass has the potential in a wide range of applications in the field of smart windows, however, its poor photostability and limited dimming range constrain its large-scale application. In this study, through the incorporation of thiophene-pyrrole fused benzothiadiazole acceptor units, we successfully designed and synthesized four novel dichroic dyes (<strong>D5FST</strong>, <strong>D5BST</strong>, <strong>D5OBST</strong>, and <strong>D44BST</strong>). Solution-phase studies revealed that all four dyes exhibited tunable photophysical properties. However, <strong>D5OBST</strong> demonstrated limited solubility in the host LC mixture Host-2301 and was consequently excluded from device-level evaluations. The remaining three dyes displayed excellent compatibility with the host LC, enabling electrically controlled transparency switching. Notably, <strong>D44BST</strong> achieved the largest absorption/emission wavelengths (534/670 nm), while <strong>D5BST</strong> exhibited the highest dichroic ratio (D_A = 5.91). These findings provide critical insights for developing high-performance dichroic dyes, while highlighting the importance of host-guest compatibility in material design.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"245 ","pages":"Article 113198"},"PeriodicalIF":4.2,"publicationDate":"2025-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144921920","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Staggered through-space interaction enables hybridized local and charge-transfer regulation for multi-resonance TADF emitter","authors":"Xiao-Long Liu ,&nbsp;Fan Zheng ,&nbsp;Jie Hu ,&nbsp;Pei-Yan Zheng ,&nbsp;Zi-Xian Lian ,&nbsp;Qiao-Er Wu ,&nbsp;Yan Li ,&nbsp;Shao-Liang Shan ,&nbsp;Jun-Hua Zhuang ,&nbsp;Jia-Ming Jin ,&nbsp;Chengxiang Shi ,&nbsp;Ji-Hua Tan ,&nbsp;Yanping Huo ,&nbsp;Wen-Cheng Chen","doi":"10.1016/j.dyepig.2025.113199","DOIUrl":"10.1016/j.dyepig.2025.113199","url":null,"abstract":"<div><div>Boron/nitrogen-based multi-resonance thermally activated delayed fluorescence (MR-TADF) materials offer narrowband emission with high efficiency, but their performance is often hindered by inefficient reverse intersystem crossing (RISC) and exciton quenching. Herein, we present <strong>BNCz-IPXZ</strong>, a new MR-TADF emitter featuring a staggered through-space interaction between a rigid MR acceptor (BNCz) and a planar indolo[3,2,1-kl]phenoxazine (IPXZ) donor. This staggered face-to-face arrangement induces a hybridized local and charge-transfer excited state character, significantly enhancing spin-flipping with a RISC rate of 8.21 × 10⁴ s⁻¹. The integration of a rigid MR core and planar donor also restricts structural relaxation and suppresses nonradiative decay, resulting in narrowband emission and a high photoluminescence quantum yield of up to 92 %. Organic light-emitting diodes incorporating <strong>BNCz-IPXZ</strong> exhibit narrowband green electroluminescence with a peak external quantum efficiency of 32.1 % and a full width at half maximum of 40 nm. These findings demonstrate a rational design approach for achieving efficient, narrowband MR-TADF emitters through staggered through-space HLCT engineering.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"245 ","pages":"Article 113199"},"PeriodicalIF":4.2,"publicationDate":"2025-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144926072","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A new hydroxynaphthalimide-based merocyanine dye for imaging a mitochondrial viscosity in living cells","authors":"M.A. Pavlova ,&nbsp;A.V. Efremenko ,&nbsp;P.A. Panchenko ,&nbsp;S.S. Golubtsova ,&nbsp;A.V. Feofanov ,&nbsp;O.A. Fedorova","doi":"10.1016/j.dyepig.2025.113180","DOIUrl":"10.1016/j.dyepig.2025.113180","url":null,"abstract":"<div><div>A new derivative of 3-styryl-4-hydroxynaphthalimide <strong>NI-Qu</strong> has been synthesized. It absorbs in the red region and exhibits long wavelength fluorescence, sensitive to the viscosity and polarity of the medium. The protonated and deprotonated forms of the dye were characterized by optical spectroscopy and NMR. It is shown that the deprotonated form of <strong>NI-Qu</strong> exhibits pronounced negative solvatochromism in organic solvents. <strong>NI-Qu</strong> demonstrates a 107-fold increase in fluorescence intensity at 695 nm during changing viscosity of glycerol-water mixtures from 0.89 cP to 906 cP with a linear dependence of the fluorescence quantum yield on viscosity over the entire viscosity range studied. Experiments <em>in vitro</em> showed low cytotoxicity of <strong>NI-Qu</strong> and its applicability as a selective fluorescent probe for viscosity in mitochondria in living cells.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"245 ","pages":"Article 113180"},"PeriodicalIF":4.2,"publicationDate":"2025-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144933344","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Green construction of porous organic polymers based on tris(β-keto-hydrazo)-cyclohexane used for the fluorescence detection of iodide ions and 2,4-dinitrophenol","authors":"Yun-Long Gui,&nbsp;Heng Xu,&nbsp;Tong-Mou Geng,&nbsp;Shuo Yang","doi":"10.1016/j.dyepig.2025.113193","DOIUrl":"10.1016/j.dyepig.2025.113193","url":null,"abstract":"<div><div>The porous organic polymers based on tris(β-keto-hydrazo)-cyclohexane (the TKH-POPs) are new POPs, which are synthesized by the simple diazo-coupling isomerization reactions in aqueous solution at room temperature. The synthesis process is green, mild, and environment-friendly, which avoids the use of metal catalyst, high temperature, and toxic organic reagents. However, few studies have reported their use as fluorescent sensors up to now. Herein, two TKH-POPs (PDADM and PTDA) were synthesized with 4,4′-diaminodiphenylmethane, 4,4′-thiodianiline, and anhydrous phloroglucinol as the building blocks. The structures of PDADM and PTDA are the tris(β-keto-hydrazo)-cyclohexane forms rather than the azo tautomers. PDADM and PTDA are amorphous nanospheres with thermal stability up to 264 and 242 °C, and high BET surface areas of 1346 and 989 m² g<strong>⁻</strong>¹. PDADM and PTDA have high sensitivity and selectivity to iodide ion (I⁻) and 2,4-dinitrophenol (DNP). The K_SV values of PDADM and PTDA are 1.47 × 10⁴ and 2.41 × 10⁴ mol L⁻¹ for I⁻, and 1.89 × 10⁴ and 2.68 × 10⁴ L mol⁻¹ for DNP. The fluorescence sensing mechanisms of PDADM and PTDA to iodide ions include the heavy atom effect, inter filtration effect, and resonance energy transfer process, and that to DNP consist of resonance energy transfer process, photo-induced electron-transfer process, inter filtration effect, and hydrogen bonding interactions. This study lays a good foundation for the use of TKH-POPs as the fluorescent sensors to detect anions and nitro aromatic compounds.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"245 ","pages":"Article 113193"},"PeriodicalIF":4.2,"publicationDate":"2025-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144926074","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Construction of a benzindole-based fluorescent probe with high anti-interference capability for viscosity sensing in complex environments","authors":"Xiaolei Wang ,&nbsp;Shuhang Wang ,&nbsp;Jindong Ai ,&nbsp;Litong Miao ,&nbsp;Mingguang Ren ,&nbsp;Shoujuan Wang ,&nbsp;Fangong Kong","doi":"10.1016/j.dyepig.2025.113196","DOIUrl":"10.1016/j.dyepig.2025.113196","url":null,"abstract":"<div><div>Viscosity, a key parameter regulating the cellular microenvironment, is closely linked to various complex physiological and pathological processes. In the design of viscosity probes, indole groups are often selected as electron-withdrawing groups due to their suitable electronic properties. However, traditional indole-based viscosity-responsive fluorescent probes have poor stability, small Stokes shifts, and weak anti-interference, hampering specific detection of viscosity changes in complex cellular microenvironments. To address these limitations, we optimized the structure of the traditional indole group and report a p-benzindole-based viscosity fluorescence probe <strong>MTPA-WY</strong>, which exhibits excellent viscosity-responsive optical properties, with a fluorescence intensity enhancement of approximately 30-fold at 657 nm, a large Stokes shift up to 131 nm, and excellent anti-interference capability against HClO, H₂S. Additionally, cytotoxicity assays and colocalization experiments confirmed the probe's excellent biocompatibility and mitochondrial targeting. This probe enables selective monitoring of viscosity fluctuations and long-term dynamic imaging in living cells, while demonstrating exceptional resistance to interference from various microenvironmental interferents, such as HClO, H₂S and other reactive species. Compared to traditional indole-based probes, <strong>MTPA-WY</strong> overcomes inherent limitations through structural optimization and provides a new tool for studying viscosity-related disease mechanisms in the mitochondrial microenvironment.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"245 ","pages":"Article 113196"},"PeriodicalIF":4.2,"publicationDate":"2025-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144921919","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Multi-scale investigation on high mobility emissive n-type organic semiconductors based on fluorinated diphenylanthracene isomers","authors":"Xiao-qi Sun ,&nbsp;Gui-ya Qin ,&nbsp;Jian-xun Fan ,&nbsp;Heng-yu Jin ,&nbsp;Ai-Min Ren ,&nbsp;Jing-Fu Guo","doi":"10.1016/j.dyepig.2025.113194","DOIUrl":"10.1016/j.dyepig.2025.113194","url":null,"abstract":"<div><h3>N</h3><div>type high mobility emissive organic semiconductor materials (HMEOSCs) are pivotal for advancing logic circuits and sensors. Nevertheless, their development faces the great challenge in achieving both high carrier mobility and strong luminescent properties, attributed to the limitations of intrinsic molecular structure and solid-state stacking. In this study, a series of fluorinated diphenylanthracene isomers (1,5-, 2,6-, and 9,10-DPA-F) were theoretically designed, with their charge transport and fluorescence properties systematically investigated via first-principles calculations. Additionally, crystal growth morphologies were modeled to establish multiscale structure-property relationships. The results show that the perfluorination of aryl substituents were demonstrated to effectively reduce LUMO energy levels, enhance electron injection capabilities, and elevate fluorescence quantum yields beyond 70 %. However, it also brings the problems of larger reorganization energy and intermolecular sliding along the long axis. Building on this foundation, molecular redesign strategies focused on 2,6-DPA-F were developed to suppress electronic reorganization energy. Moreover, we also clarified the reason by crystal morphology growth why high mobility molecules 1,5-DPA-F and 9,10-DPA-F (<em>μ</em>_es&gt;1 cm²V⁻¹s⁻¹) have not yet obtained experimental measurement values. This work elucidates the influence of multi-scale factors (molecular structure-stacking-morphology) on the transport properties, and opens up new avenues and perspectives for the design of n-type HMEOSCs.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"245 ","pages":"Article 113194"},"PeriodicalIF":4.2,"publicationDate":"2025-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144926071","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"High efficiency and color purity organic near-ultraviolet (NUV) electroluminescence based on hybridized local and charge transfer (HLCT) molecules with fluorobenzene π-bridge","authors":"Li Zhang ,&nbsp;Jingru Song ,&nbsp;Chenglin Ma ,&nbsp;Yannan Zhou ,&nbsp;Shenghui Zhou ,&nbsp;Qikun Sun ,&nbsp;Wenjun Yang ,&nbsp;Shanfeng Xue","doi":"10.1016/j.dyepig.2025.113192","DOIUrl":"10.1016/j.dyepig.2025.113192","url":null,"abstract":"<div><div>The performance of near-ultraviolet organic light-emitting devices (NUV OLEDs)—particularly regarding efficiency and color purity—significantly lags behind that of red, green, and blue (RGB) OLEDs. In this work, two novel fluorinated D-π-A emitters CZ-2FPPCN and TPA-2FPPCN with the hybridized local and charge-transfer (HLCT) characteristic are reported. Theoretical and photophysical analyses confirm the characteristic HLCT behavior in both molecules. Single-crystal structural data demonstrate that fluorination enriches intermolecular interactions, effectively restricting intramolecular vibrations and enhancing photoluminescence quantum yields. As a result, non-doped devices based on these emitters achieve maximum external quantum efficiencies (EQE_max) of 6.42 % and 4.52 %, respectively. Upon doping into a CBP host matrix, both materials exhibit balanced carrier mobilities exceeding 10⁻⁶ cm² V⁻¹ s⁻¹, with EQE further improved to 7.00 % and 5.47 % for CZ-2FPPCN and TPA-2FPPCN, respectively. Importantly, the CZ-2FPPCN-based device achieves Commission International de L'Eclairage (CIE) coordinates of (0.158, 0.039) with a narrow full-width at half-maximum (FWHM) of 48 nm, concurrently realizing high efficiency and exceptional color purity. This study demonstrates that fluorination represents a viable strategy to overcome inherent molecular design trade-offs in NUV emitters, providing a straightforward pathway for the further development of high-performance NUV electroluminescent materials.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"245 ","pages":"Article 113192"},"PeriodicalIF":4.2,"publicationDate":"2025-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144917557","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Pluronic F127 nanoparticles modified with folate and loaded with phycocyanobilin for tumor-targeted photodynamic therapy","authors":"Xuxiang Cai ,&nbsp;Yuhui Hu ,&nbsp;Siqi Xiao ,&nbsp;Yunquan Zheng ,&nbsp;Jianmin Yang ,&nbsp;Xianai Shi ,&nbsp;Chengqun Chen","doi":"10.1016/j.dyepig.2025.113190","DOIUrl":"10.1016/j.dyepig.2025.113190","url":null,"abstract":"<div><div>Photodynamic therapy (PDT) has emerged as a promising cancer treatment strategy due to its minimally invasive nature and high specificity for malignant tissue. Our previous work has shown that phycocyanobilin (PCB), a natural food coloring derived from <em>Arthrospira Platensis</em>, has the potential to be a photosensitizer. Compared to most reported photosensitizers, PCB is almost non-toxic and readily available. However, its water insolubility and inadequate targeting delivery to cancer cells have been identified as significant obstacles, which compromise its bioavailability and further clinical application. In the present study, Folate-modified pluronic F127 nanoparticle drug delivery system (FF) was developed, which possessed specific tumor targeting, homogeneity, dispersibility and good biocompatibility. This system has been shown to enhance PCB uptake by 4T1 mouse breast carcinoma cells, increase the intracellular ROS production, induce 4T1 cell apoptosis in a concentration-dependent manner, and significantly improve the anticancer activity of PCB. The IC₅₀ value of Phycocyanobilin-Folate acid-pluronic F127 nanoparticle drug delivery system (PFF) under light irradiation was determined to be 42.75 ± 0.78 μmol/L, which was 26.62 % higher than that of PCB alone. Zn-Phthalocyanine is a typical second-generation photosensitizer. The therapeutic index (TI) value of PFF was found to be 8.09 under light irradiation, which was significantly higher than that of Zn-Phthalocyanine (TI = 1.08). <em>In vivo</em> studies have shown the efficacy of PFF in delivering PCB to tumor sites, resulting in a significant inhibition rate of tumor growth inhibition (96.15 ± 3.70 %). Furthermore, PFF has been demonstrated to exhibit excellent biocompatibility, suggesting its potential for use in clinical treatments.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"245 ","pages":"Article 113190"},"PeriodicalIF":4.2,"publicationDate":"2025-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144919798","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Vibronic coupling shapes circularly polarized luminescence and quantum yields of carbo [6]helicene and bora [6]helicene","authors":"Qiushuang Xu ,&nbsp;Meishan Wang ,&nbsp;Xiang Zhao ,&nbsp;Yanli Liu ,&nbsp;Dongdong Yang","doi":"10.1016/j.dyepig.2025.113187","DOIUrl":"10.1016/j.dyepig.2025.113187","url":null,"abstract":"<div><div>Theoretical guidance for the development of high-performance fluorophores based on accurate predictions of spectral properties and fluorescence quantum yields would be highly beneficial for the purposeful design of new fluorophores. This work presents a theoretical investigation into <strong>bora[6]helicene</strong> and its designed <strong>carbo[6]helicene</strong> counterpart to understand the impact of substituting a carbon substituent for a boron substituent on optical properties and quantum efficiencies. The differences in electronic characteristics between <strong>bora[6]helicene</strong> and <strong>carbo[6]helicene</strong>, as well as the effects of carbon substitution on spectral properties, were analyzed. Here, we applied the time-dependent correlation function approaches to calculate the transition nature, circularly polarized luminescence (CPL), internal conversion (IC), and intersystem crossing (ISC) rates of these two molecules. The results indicate that <strong>bora[6]helicene</strong> and <strong>carbo[6]helicene</strong> exhibit entirely distinct electronic properties with different HOMO-LUMO gaps. Theoretical vibronic spectroscopy results further confirm that carbon substitution significantly affects chiroptical properties, including spectral shape, width, intensity, and wavelength. To further characterize the excited states, radiative and non-radiative rates were calculated to predict fluorescence quantum yields (QYs). And we analyze the effect of different broadening functions (Gaussian, Lorentzian, or Voigt) on QYs. The calculated Voigt broadening function QYs of <strong>bora[6]helicene</strong> is consistent with the experimental value, confirming the reliability of our model. Compared with the theoretically predicted <strong>carbo[6]helicene</strong>, the QYs of <strong>bora[6]helicene</strong> is significantly larger. This work proves that compared with a carbon atom, the [6]helicene doped with a boron atom significantly improves the fluorescence quantum yield.</div></div>","PeriodicalId":302,"journal":{"name":"Dyes and Pigments","volume":"245 ","pages":"Article 113187"},"PeriodicalIF":4.2,"publicationDate":"2025-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144913776","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}