Thiophene Groups Research Articles

Effects of Connectivity Isomerization on Electron Transport Through Thiophene Heterocyclic Molecular Junction.

Connectivity isomerization of the same aromatic molecular core with different substitution positions profoundly affects electron transport pathways and single-molecule conductance. Herein, we designed and synthesized all connectivity isomers of a thiophene (TP) aromatic ring substituted by two dihydrobenzo[b]thiophene (BT) groups with ethynyl spacers (m,n-TP-BT, (m,n = 2,3; 2,4; 2,5; 3,4)), to systematically probe how connectivity contributes to single-molecule conductance. Single-molecule conductance measurements using a scanning tunneling microscopy break junction (STM-BJ) technique show ∼12-fold change in conductance values, which follow an order of 10-4.83 G0 (2,4-TP-BT) < 10-4.78 G0 (3,4-TP-BT) < 10-4.06 G0 (2,3-TP-BT) < 10-3.75 G0 (2,5-TP-BT). Electronic structure analysis and theoretical simulations show that the connectivity isomerization significantly changes electron delocalization and HOMO-LUMO energy gaps. Moreover, the connectivity-dependent molecular structures lead to different quantum interference (QI) effects in electron transport, e.g., a strong destructive QI near E = EF leads the smallest conductance value for 2,4-TP-BT. This work proves a clear relationship between the connectivity isomerization and single-molecule conductance of thiophene heterocyclic molecular junctions for the future design of molecular devices.

Modulation of Phase Separation Morphology by Configuration Engineering in Bulk Heterojunction Organic Solar Cells

For bulk‐heterojunction organic solar cells (OSCs), molecular structure design to control molecular stacking is crucial to obtain ideally phase‐separated morphology and high device performance. Herein, the investigation focuses on two polythiophene‐quinoxaline (PTQ) derivatives (PTQ8 and PTQ10) blended with Y6, utilizing coarse‐grained molecular dynamics simulations based on the Lennard–Jones static potential (LJSP) method. The study reveals that the diminished photovoltaic efficiencies of PTQ8:Y6 blends, compared to PTQ10:Y6 blends, are not solely attributed to reduced driving forces. The introduction of fluorine‐substituted sites in the thiophene group of PTQ polymer is identified as a significant factor. This alteration causes PTQ polymers in PTQ8:Y6 blends to coil, compromising the crystalline structure. PTQ8's bifluorine group induces a repulsive effect on the quinoxaline group, leading to a coiled‐chain structure that hinders chain stacking. Conversely, PTQ10 exhibits a straighter chain conformation. Additionally, PTQ8's high solubility in chloroform prevents effective aggregation, further impeding suitable morphology formation. Coarse‐grained simulations employing LJSP prove effective in precisely exploring the morphology of OSCs, offering crucial insights for materials in this field.

Thiophene-functionalized covalent triazine frameworks for photo-enhanced gold recovery

Combining adsorption with photocatalytic reduction may be an ideal emerging strategy for efficient and highly selective gold recovery, but currently reports are rare. In precious metal recovery, cheap and robust covalent triazine frameworks (CTFs) offer industrial feasibility, although having selective binding sites while enhancing semiconductor performance is challenging. In this paper, we report a D-A CTF (named TD-TPTA) with abundant thiophene and triazine functional groups, narrow optical band gap, and excellent photocatalytic activity. Benefiting from the strong interaction between [AuCl4]− (soft acid) and the abundant soft base sites (sulfur atom) on the CTF skeleton, TD-TPTA can achieve highly selective gold capture. Meanwhile, the construction of π-conjugated D-A skeleton significantly improving the photocatalytic activity and achieving efficient photocatalytic reduction of gold. Analysis reveals that through a combination of adsorption and photocatalytic reduction, TD-TPTA has high gold adsorption capacity (1123.8 mg g−1) and fast kinetics even under ultra-low pH conditions (pH = 2). In addition, TD-TPTA can selectively recover 99.45 % of gold from e-waste wastewater. CTF is robust and recyclable, providing significant advantages over currently reported adsorbents.

Crystal structure and Hirshfeld surface analysis of dimethyl 4'-bromo-3-oxo-5-(thio-phen-2-yl)-3,4,5,6-tetra-hydro-[1,1'-biphen-yl]-2,4-di-carboxyl-ate.

In the title compound, C20H17BrO5S, mol-ecules are connected by inter-molecular C-H⋯S hydrogen bonds with R 2 2(10) ring motifs, forming ribbons along the b-axis direction. C-H⋯π inter-actions consolidate the ribbon structure while van der Waals forces between the ribbons ensure the cohesion of the crystal structure. According to a Hirshfeld surface analysis, H⋯H (40.5%), O⋯H/H⋯O (27.0%), C⋯H/H⋯C (13.9%) and Br⋯H/H⋯Br (11.7%) inter-actions are the most significant contributors to the crystal packing. The thio-phene ring and its adjacent di-carboxyl-ate group and the three adjacent carbon atoms of the central hexene ring to which they are attached were refined as disordered over two sets of sites having occupancies of 0.8378 (15) and 0.1622 (15). The thio-phene group is disordered by a rotation of 180° around one bond.

Copper-catalyzed aerobic oxidative dehydrogenative cyclization to construct polycyclic aromatic hydrocarbons

The copper-catalyzed aerobic oxidative dehydrogenative cyclization of benzo[b]thiophene represents an efficient approach for the rapid construction of polycyclic aromatic hydrocarbons (PAHs) containing benzo[b]thiophene groups. However, this remains an underexplored field. Here, we establish a new type of copper-catalyzed aerobic oxidative dehydrogenative cyclization of benzo[b]thiophene that enables the utilization of benzo[b]thiophene functionality to access polycyclic aromatic hydrocarbons. This methodology features mild reaction conditions, high atom economy, and remarkable chemo-selectivity, delivering a diversity of PAHs containing benzo[b]thiophene groups. Mechanistic experiments and DFT calculations demonstrate that the in situ generation of benzothiophenyl radical cation intermediate undergoes the intermolecular cyclization and the capture of H2O to furnish the oxidative cycloaromatization reaction. Labeling experiment disclosed that the carbonyl oxygen atom of the product originates from H2O generated during the reaction.

Scanning Tunneling Microscopy Examination of Molecules with Fused Thiophene and Pyrrole Groups Adsorbed on the Electrified Au(111) Interface

Scanning Tunneling Microscopy Examination of Molecules with Fused Thiophene and Pyrrole Groups Adsorbed on the Electrified Au(111) Interface

Self-Templating Copolymerization to Produce Robust Conductive Nanocoatings Based on Conjugated Polymer Brushes with Implementable Memristive Characteristics.

An effective synthesis of conductive polymer brushes, i.e., self-templating surface-initiated copolymerization (ST-SICP), is developed. It proceeds through copolymerization of pendant thiophene groups in the precursor multimonomer poly(3-methylthienyl methacrylate) (PMTM) brushes with free 3-methylthiophene (3MT) monomers leading to PMTM-co-P3MT brushes. This approach leads to improved conformational freedom of generated conjugated poly(thiophene)-based chains and their higher share in the brushes with respect to conjugation of pendant thiophene groups only. As a result, best performing conjugated PMTM-co-P3MT brushes demonstrate high ohmic conductivity in both out-of-plane and in-plane direction. Furthermore, thanks to the covalent anchoring as well as intra- and intermolecular connections, highly stable and mechanically robust nanocoatings are produced which can survive mechanical cleaning and long-term storage under ambient conditions. Grafting of ionic poly(sodium 4-styrenesulfonate) (PSSNa) in between PMTM-co-P3MT chains brings new properties to such binary mixed brushes that can operate as thin-film memristive coating with switchable conductance. It is worth mentioning that the crucial synthetic steps, i.e., grafting of precursor PMTM brushes by surface-initiated organocatalyzed atom transfer radical polymerization (SI-O-ATRP) and PSSNa chains by surface-initiated photoiniferter-mediated polymerization (SI-PIMP) are conducted under ambient conditions using only microliter volumes of reagents providing methodology that can be considered for use beyond the laboratory scale.

Electron-donating five-membered heterocyclic modulated electronic states boosting visible-light-driven H2O2 production

Pyridyl-conjugated microporous polymers (CMPs) were synthesized and discovered that the catalyst with a five-membered heterocycle could facilitate O2 reduction and H2O oxidation into H2O2 under photo-irradiation. The electronic state structure of the CMPs was further modulated by incorporating aldehyde-based monomers containing five-membered heterocycles. It was observed that the introduction of an electron-donating thiophene ring (Th-CMP) or a furan ring (Fu-CMP) significantly increased the H2O2 production yield. Remarkably, the H2O2 yield from Th-CMP in pure water and O2, without the need for any sacrificial agents, achieved 855 μM h−1, which surpasses most of the reported organic polymer photocatalysts. Mechanism researchs indicated Thiophene groups not only expanded the range for visible light absorption, but also facilitates the separation and migration of charge carriers, thereby providing favorable conditions for H2O2 generation. This study presents a promising and innovative direction to designing cost-effective and efficient CMPs for the photocatalytic generation of H2O2.

Rational synthesis of two isostructural thiophene-containing metal-organic frameworks toward photocatalytic degradation of organic pollutants

In this work, thiophene moieties (as the crucial functional groups) have been successfully incorporated into the skeleton of metal–organic frameworks (MOFs) by using thienyl-substituted triazole ligands. Reaction of AgCF3SO3 with 3-phenyl-5-(2-thienyl)-1,2,4-triazole (PTTzH) or 3,5-bis(2-thienyl)-1,2,4-triazole (BTTzH) afforded two isostructural MOFs (AgTz-3 and AgTz-4) in gram-scale. AgTz-4 with higher thiophene content showed significantly stronger photocatalytic activity than AgTz-3 with lower thiophene content. Noteworthy, the photodegradation rate constants of AgTz-4 were 0.055 mg·L-1·min-1 for rhodamine B and 0.24 min−1 for salazosulfapyridine, which is comparable or even higher than some MOF-based materials reported in the literature. More importantly, AgTz-4 demonstrated good reusability and stability after four cycles of photodegradation. Our experimental results revealed that the enhanced photodegradation efficiency can be attributed to the increased light absorption capacity and optimized band structure of Ag-MOFs resulting from the introduction of thiophene groups into MOF structures.

Synthesis of asymmetric cationic zinc porphyrin photosensitizer containing thiophene group for photodynamic therapy in vitro and theoretical calculation of DFT

Porphyrins, as photosensitizers for photodynamic therapy, is used to treat various cancers. In this study, three different side-chain variants of thiophene-zinc porphyrins were synthesized (Zn-P1, Zn-P2, and Zn-P3). Among the synthesized compounds, Zn-P1 exhibited the highest activity and demonstrated superior singlet oxygen generation capability according to both density functional theory calculations and singlet oxygen generation experiments. Our cytotoxicity assays revealed that Zn-P1 exhibited remarkable phototoxicity along with a pronounced selectivity for HepG2 cells. This selectivity was confirmed by cell staining experiments, which showed obvious apoptotic processes. Further insight into this anticancer mechanism was provided by cell reactive oxygen species experiments, which explained the induction of cancer cell apoptosis. Light-activated production of reactive oxygen species by photosensitizers initiates the apoptotic cascade in cancer cells. This study highlights the utility of cationic porphyrin photosensitizer complexes in photodynamic therapy and provides new insights for the development of innovative photosensitizers in cancer treatment.

Terpyridine isomerism as a tool for tuning red-to-NIR emissive properties in heteronuclear gold(I)-thallium(I) complexes.

The polymeric linear chain [AuTl(C6Cl5)2]n reacts with three terpyridine-type ligands substituted with thiophene groups containing N-donor centres in different relative positions (L1, L2 and L3), leading to the Au(I)/Tl(I) complexes [AuTl(C6Cl5)2(L1)]n (1), [{AuTl(C6Cl5)2}2(L2)]n (2) and [AuTl(C6Cl5)2(L3)]n (3). X-Ray diffraction studies reveal that L1 acts as a chelate, while L2 and L3 act as bridging ligands, resulting in different coordination indexes for the thallium(I) centre. These structural differences strongly influence their optical properties, and while compounds 2 and 3 emit near the limit of the visible range, complex 1 emits in the infrared region. DFT calculations have also been carried out in order to determine the origin of the electronic transitions responsible for their optical properties.

Predicting and screening high-performance polyimide membranes using negative correlation based deep ensemble methods.

Polyimide polymer membranes have become critical materials in gas separation and storage applications due to their high selectivity and excellent permeability. However, with over 107 known types of polyimides, relying solely on experimental research means potential high-performance candidates are likely to be overlooked. This study employs a deep learning method optimized by negative correlation ensemble techniques to predict the gas permeability and selectivity of polyimide structures, enabling rapid and efficient material screening. We propose a deep neural network model based on negative correlation deep ensemble methods (DNN-NCL), using Morgan molecular fingerprints as input. The DNN-NCL model achieves an R2 value of approximately 0.95 on the test set, which is a 4% improvement over recent model performance, and effectively mitigates overfitting with a maximum discrepancy of less than 0.03 between the training and test sets. High-throughput screening of over 8 million hypothetical polymers identified hundreds of promising candidates for gas separation membranes, with 14 structures exceeding the Robeson upper bound for CO2/N2 separation. Visualization of high-throughput predictions shows that although the Robeson upper bound was never explicitly used as a model constraint, the majority of predictions are compressed below this limit, demonstrating the deep learning model's ability to reflect real-world physical conditions. Reverse analysis of model predictions using SHAP analysis achieved interpretability of the deep learning model's predictions and identified three key functional groups deemed important by the deep neural network for gas permeability: carbonyl, thiophene, and ester groups. This established a bridge between the structure and properties of polyimide materials. Additionally, we confirmed that two polyimide structures predicted by the model to have excellent CO2/N2 selectivity, namely 6-methylpyrimidin-5-amine and 1,4,5,6-tetrahydropyrimidin-2-amine, have been experimentally validated in previous studies. This research demonstrates the feasibility of using deep learning methods to explore the vast chemical space of polyimides, providing a powerful tool for discovering high-performance gas separation membranes.

Revealing the impact of thermal annealing on the perovskite/organic bulk heterojunction interface in photovoltaic devices.

Perovskite/organic bulk heterojunction (BHJ) integrated solar cells have tremendous development potential to exceed the Shockley-Queisser limit efficiency of single-junction photovoltaics, due to the merits of spectra response extension. However, the presence of energy level barriers and severe non-radiative recombination at the interface between perovskite and BHJ greatly hindered the transport and collection of charge carriers, usually leading to large Voc and photocurrent loss, as well as the stability degradation of integrated devices. Therefore, investigating the interface properties of perovskite/BHJ is crucial for understanding the charge transport process and enhancing device performance. In this study, we effectively regulated the interface properties and charge transport in perovskite/BHJ integrated devices using a thermal annealing process. Using Kelvin probe microscopy, photoluminescence, and transient absorption spectroscopy, we revealed that moderate annealing treatment would contribute to forming close interface contact and provide more channels or pathways for charge transfer, which is advantageous for the interface charge collection and device performance. In addition, the lone pair electrons of acyl, thiophene and pyrrole function groups in polymer PDPP3T and PCBM can act as the Lewis base and provide electrons to the under-coordinated lead atoms or clusters in the perovskite, effectively passivating traps on the surface and grain boundaries of the perovskite through Lewis acid-base coordination. Finally, we improved the photovoltaic conversion efficiency of the device to 21.57% with enhanced stability using an optimized thermal annealing process. This study provides a comprehensive understanding of the integrated perovskite/BHJ interface properties, which could be extended to other optoelectronic devices based on a similar integrated structure.

Bi-directional charge transfer channels in highly crystalline carbon nitride enabling superior photocatalytic hydrogen evolution.

Introducing a donor-acceptor (D-A) unit is an effective approach to facilitate charge transfer in polymeric carbon nitride (PCN) and enhance photocatalytic performance. However, the introduction of hetero-molecules can lead to a decrease in crystallinity, limiting interlayer charge transfer and inhibiting further improvement. In this study, we constructed a novel D-A type carbon nitride with significantly higher crystallinity and a bi-directional charge transfer channel, which was achieved through 2,5-thiophenedicarboxylic acid (2,5-TDCA)-assisted self-assembly followed by KCl-templated calcination. The thiophene and cyano groups introduced serve as the electron donor and acceptor, respectively, enhancing in-plane electron delocalization. Additionally, introduced potassium ions are intercalated among the adjacent layers of carbon nitride, creating an interlayer charge transfer channel. Moreover, the highly ordered structure and improved crystallinity further facilitate charge transfer. As a result, the as-prepared photocatalyst exhibits superior photocatalytic hydrogen evolution (PHE) activity of 7.449 mmol h-1 g-1, which is 6.03 times higher than that of pure carbon nitride. The strategy of developing crystalline D-A-structured carbon nitride with controlled in-plane and interlayer charge transfer opens new avenues for the design of carbon nitride with enhanced properties for PHE.

An extended thiophene chain for Ni-based porphyrin derivatives enabling a high potential and long cycle life for electrochemical charge storage

In situ electropolymerization via extended thiophene groups endows NiT2TP cathode highly stable structure with long term cycling stability up to 3000 cycles with a high working potential of 3.5 V (vs. Li+/Li).

Kinetic study of the reaction of thiophene-tocopherols with peroxyl radicals enlightenings the role of O˙⋯S noncovalent interactions in H-atom transfer.

Three new α-tocopherol thiophene derivatives were efficiently synthesized, characterized and used for the first time as chain-breaking antioxidants for the inhibition of the autoxidation of reference oxidizable substrates. The rate constant of the reaction with alkylperoxyl (ROO˙) radicals and the stoichiometry of radical trapping (n) for the thiophene-tocopherol compounds were determined by measuring the oxygen consumption during the autoxidation of styrene or isopropylbenzene, using a differential pressure transducer. The measurement of the reaction with ROO˙ radicals in an apolar solvent at 30 °C showed inhibition rate constants (kinh) in the order of 104 M-1 s-1. To rationalise the kinetic results, the effect of the thiophene ring on the H-atom donation by O-H groups of the functionalized tocopherols was investigated by theoretical calculations. The importance of noncovalent interactions (including an unusual O˙⋯S bond) for the stability of the conformers has been shown, and the O-H bond dissociation enthalpy (BDE(OH)) of these derivatives was determined. Finally, the photophysical properties of these new compounds were investigated to understand if the addition of thiophene groups changes the absorption or emission spectra of the tocopherol skeleton for their possible application as luminescent molecular probes.

Sensitive monitoring of NAD(P)H levels within cancer cells using mitochondria-targeted near-infrared cyanine dyes with optimized electron-withdrawing acceptors.

A series of near-infrared fluorescent probes, labeled A to E, were developed by combining electron-rich thiophene and 3,4-ethylenedioxythiophene bridges with 3-quinolinium and various electron deficient groups, enabling the sensing of NAD(P)H. Probes A and B exhibit absorptions and emissions in the near-infrared range, offering advantages such as minimal interference from autofluorescence, negligible photo impairment in cells and tissues, and exceptional tissue penetration. These probes show negligible fluorescence when NADH is not present, and their absorption maxima are at 438 nm and 470 nm, respectively. In contrast, probes C-E feature absorption maxima at 450, 334 and 581 nm, respectively. Added NADH triggers the transformation of the electron-deficient 3-quinolinium units into electron-rich 1,4-dihydroquinoline units resulting in fluorescence responses which were established at 748, 730, 575, 625 and 661 for probes AH-EH, respectively, at detection limits of 0.15 μM and 0.07 μM for probes A and B, respectively. Optimized geometries based on theoretical calculations reveal non-planar geometries for probes A-E due to twisting of the 3-quinolinium and benzothiazolium units bonded to the central thiophene group, which all attain planarity upon addition of hydride resulting in absorption and fluorescence in the near-IR region for probes AH and BH in contrast to probes CH-EH which depict fluorescence in the visible range. Probe A has been successfully employed to monitor NAD(P)H levels in glycolysis and specific mitochondrial targeting. Furthermore, it has been used to assess the influence of lactate and pyruvate on the levels of NAD(P)H, to explore how hypoxia in cancer cells can elevate levels of NAD(P)H, and to visualize changes in levels of NAD(P)H under hypoxic conditions with CoCl2 treatment. Additionally, probe A has facilitated the examination of the potential impact of chemotherapy drugs, namely gemcitabine, camptothecin, and cisplatin, on metabolic processes and energy generation within cancer cells by affecting NAD(P)H levels. Treatment of A549 cancer cells with these drugs has been shown to increase NAD(P)H levels, which may contribute to their anticancer effects ultimately leading to programmed cell death or apoptosis. Moreover, probe A has been successfully employed in monitoring NAD(P)H level changes in D. melanogaster larvae treated with cisplatin.

Robust Molecular Anodes for Electrocatalytic Water Oxidation Based on Electropolymerized Molecular Cu Complexes.

A multistep synthesis of a new tetra-amidate macrocyclic ligand functionalized with alkyl-thiophene moieties, 15,15-bis(6-(thiophen-3-yl)hexyl)-8,13-dihydro-5H-dibenzo[b,h][1,4,7,10]tetraazacyclotridecine-6,7,14,16(15H,17H)-tetraone, H4 L, is reported. The reaction of the deprotonated ligand, L4- , and Cu(II) generates the complex [LCu]2- , that can be further oxidized to Cu(III) with iodine to generate [LCu]- . The H4 L ligand and their Cu complexes have been thoroughly characterized by analytic and spectroscopic techniques (including X-ray Absorption Spectroscopy, XAS). Under oxidative conditions, the thiophene group of [LCu]2- complex polymerizes on the surface of graphitic electrodes (glassy carbon disks (GC), glassy carbon plates (GCp ), carbon nanotubes (CNT), or graphite felts (GF)) generating highly stable thin films. With CNTs deposited on a GC by drop casting, hybrid molecular materials labeled as GC/CNT@p-[LCu]2- are obtained. The latter are characterized by electrochemical techniques that show their capacity to electrocatalytically oxidize water to dioxygen at neutral pH. These new molecular anodes achieve current densities in the range of 0.4mAcm-2 at 1.30V versus NHE with an onset overpotential at ≈250mV. Bulk electrolysis experiments show an excellent stability achieving TONs in the range of 7600 during 24h with no apparent loss of catalytic activity and maintaining the molecular catalyst integrity, as evidenced by electrochemical techniques and XAS spectroscopy.

A novel solid acid bearing thiophene group: Preparation and catalytic performance in cellulose hydrolysis

Two different aromatic monomers, naphthalene and benzothiophene, were ingeniously selected to prepare a solid acid with thiophene groups, which can selectively convert cellulose into glucose. The content of thiophene groups in the solid acids was regulated by adjusting the proportion of aromatic monomers. The effect of thiophene groups on physico-chemical structures and catalytic activity of solid acids was discussed. The experiment results indicate that the sulfur content in solid acids was up to 19.57 wt%. The introduction of thiophene groups increased –SO3H group density and adsorption capacity by 30.99 % and 64.36 %, respectively. These positive changes result in excellent catalytic activity of solid acids. The cellulose conversion rate and glucose selectivity reached 78.9 % and 97.1 % respectively at 150 °C and 7 h.

Furan‐modified thiadiazolo quinoxaline as an electron acceptor for constructing second near‐infrared aggregation‐induced emission fluorophores for beyond 1300 nm fluorescence/photoacoustic imaging and photothermal therapy

AbstractCreation of new fluorophores is important for understanding the structure–property relationship, by which the required optical properties are likely to be attained. Herein, through theory calculation, it is found that furan‐modified thiadiazolo quinoxaline acting as an electron acceptor can endow donor–acceptor–donor (D–A–D) type second near‐infrared (NIR‐II) fluorophores with longer emission wavelength than the other thiadiazolo quinoxaline‐based acceptors containing pyridine, pyrrole, thiophene, and phenyl groups, respectively. On the basis of this theoretical prediction, a D–A–D type NIR‐II fluorophore with 6,7‐di(furan‐2‐yl)‐[1,2,5]thiadiazolo[3,4‐g] quinoxaline (DFTQ) as the acceptor and dithieno[3,2‐b:2′,3′‐d]pyrrole (DTP) as the donor is designed and synthesized, and the aggregation‐induced emission (AIE) function is further achieved by introducing the AIE units of tetraphenylethylene (TPE) and triphenylamine (TPA), respectively, totally forming three NIR‐II fluorophores DFTQ–DTP, DFTQ–DTPE, and DFTQ–DTPA. For biological applications, the fluorophores are encapsulated by amphiphilic DSPE–PEG2000 to generate water‐dispersible nanoparticles (NPs). Almost the whole emission of each of the NPs falls into the NIR‐II spectral range, with part emission beyond 1300 nm. By using DFTQ–DTPA NPs as the contrast and photothermal therapy (PTT) agent, high‐resolution in vivo fluorescence imaging is achieved in the greater than 1300 nm window, and their good performance in photoacoustic imaging and high tumor PTT efficacy in tumor‐bearing mice are also demonstrated. Taken together, this work mainly provides a strong electron acceptor for constructing long‐emitting fluorophores, and by using the electron acceptor, a AIE fluorophore with desirable quantum yield (QY) and photothermal conversion efficienciy (PCE) is synthesized and demonstrated to be promising in fluorescence/photoacoustic imaging and PTT.