333 research outputs found

    Ready Access to Molecular Rotors Based on Boron Dipyrromethene Dyes-Coumarin Dyads Featuring Broadband Absorption

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    Herein we report on a straightforward access method for boron dipyrromethene dyes (BODIPYs)-coumarin hybrids linked through their respective 8- and 6- positions, with wide functionalization of the coumarin fragment, using salicylaldehyde as a versatile building block. The computationally-assisted photophysical study unveils broadband absorption upon proper functionalization of the coumarin, as well as the key role of the conformational freedom of the coumarin appended at the meso position of the BODIPY. Such free motion almost suppresses the fluorescence signal, but enables us to apply these dyads as molecular rotors to monitor the surrounding microviscosity.This research was funded by Spanish Ministerio de Economia y Competitividad (project MAT2017-83856-C3-3-P), Gobierno Vasco (project IT912-16), CONACyT (grants 253623, 123732) and Dirección de Apoyo a la Investigación (DAIP-UG CIIC318/2019)

    Aggregation-induced emission of [3]cumulenes functionalized with heptagon-containing polyphenylenes

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    This is accepted manuscript, the final published article is available in "García Jiménez, V.; et al. Aggregation-induced emission of [3]cumulenes functionalized with heptagon-containing polyphenylenes. Chemical Communications, online (2018). DOI: http://dx.doi.org/10.1039/C8CC00386FWe report the luminiscence at room temperature by aggregate formation of [3]cumulenes functionalized with propeller-like heptagon-containing polyphenylenes. These endgroups turn on the emission of a [3]cumulene by steric protection and restriction of their intramolecular rotations in the aggregates.European Research Council (ERC) under the European Union's Horizon 2020 research and innovation program (ERC-2015 -677023).Ministerio de Economía y Competitividad (MINECO, Spain – FEDER) (CTQ2015-70283-P, CTQ2014-53598-R, RyC-2013-12943).Fundação para a Ciência e a tecnologia (Portugal, IF/00759/2013, SFRH/BPD/75782/2011,SFRH/BPD/96707/2013,UID/NAN/50024/2013)

    Highly efficient blueish-green fluorescent OLEDs based on AIE liquid crystal molecules : From ingenious molecular design to multifunction materials

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    In order to seek the balance point between liquid crystallinity and high efficiency emission, two novel aggregation-induced emission-based (AIE) liquid crystal materials of TPE-PBN and TPE-2PBN, which contain a tetraphenylethene derivative as the emission core and a 4-cynobiphenyl moiety as the mesogenic unit, were designed and prepared. Both simple molecules showed a mesophase at high temperature as evidenced by polarised optical microscopy (POM), differential scanning calorimetry (DSC) and temperature-dependent X-ray diffraction (XRD). Simultaneously, TPE-PBN and TPE-2PBN presented clear AIE characteristics in the blueish-green region and achieved a high emission quantum efficiency of 71% and 83% in the solid state, respectively. Due to the self-assembly properties of thermotropic liquid crystals, both compounds showed higher hole mobilities in the annealed films than in pristine films. Employing TPE-PBN and TPE-2PBN as the emitting materials, both non-doped devices and doped devices were fabricated. The TPE-PBN-based doped OLEDs showed a better device performance with an external quantum efficiency (EQE) of 4.1% which is among the highest EQEs of blue AIE fluorescent OLEDs

    Fluorescence modulation of an aggregation-induced emission active ligand via rigidification in a coordination polymer and its application in singlet oxygen sensing

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    A new Zn(II)-based coordination polymer (CP) having the formula [Zn(L)(2,2'-bpy)] (1) was synthesized using ZnCl2, 3,3'-(anthracene-9,10-diyl)diacrylic acid ligand (H2L), and 2,2'-bipyridine (2,2'-bpy) in DMF under solvothermal conditions. Here, the anthracene-based dicarboxylic acid ligand shows aggregation-induced emission (AIE) activity in an ethanol/hexane medium. Single-crystal X-diffraction analysis reveals that the one-dimensional (1D) zigzag chainlike structure of 1 is assembled from tetrahedrally coordinated Zn2+ ions interconnected by 2,2'-bpy and ditopic anthracene-based ligand molecules. The crystal structure analysis reveals that the ditopic anthracene-based flexible ligand adopts a twisted conformation in the CP crystal compared to its free state. Because of the twisted conformation of the ATE active ligand in the CP crystal, a large (similar to 80 nm) hypsochromic shift was observed in the emission spectrum with a drastic color change compared to the free state of ligand. The origin of these rare fluorescence properties is ascribed to the twisted diacrylic acid ligand conformation and rigidity in the CP crystal. An unprecedented response was observed toward singlet oxygen (O-1(2)) by 1 via a fluorescence turn-off mechanism. The presence of the anthracene moiety is the main influential factor for O-1(2) sensing, which undergoes [4 + 2] cycloaddition reaction with O-1(2), producing a nonemissive 9,10-endoperoxide product. The unique photoluminescence properties along with tunable fluorescence responses indicate that incorporating an AIE active anthracene core into the CP crystal is a beneficial strategy to develop new fluorescent materials with significant sensing ability

    Crafting NPB with tetraphenylethene: a win–win strategy to create stable and efficient solid-state emitters with aggregation-induced emission feature, high hole-transporting property and efficient electroluminescence

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    N,N′-Di-(1-naphthyl)-N,N′-diphenyl-(1,1′-biphenyl)-4,4′-diamine (NPB) possesses high thermal and morphological stability and is one of the well-known hole-transporting materials for the fabrication of organic light-emitting diodes (OLEDs). Modification of NPB by the covalent integration of tetraphenylethene (TPE) into its structure dramatically changes its emission behavior: the resulting adduct (TPE–NPB) is highly emissive in the aggregated state, showing a novel phenomenon of aggregation-induced emission (AIE). The adduct is thermally and morphologically stable. Non-doped multilayer electroluminescence (EL) devices using TPE–NPB as an emitting layer were fabricated, which emitted green light with a maximum luminance and current efficiency of 11[thin space (1/6-em)]981 cd m−2 and 11.9 cd A−1, respectively. Even better device performances are observed in the bilayer device without NPB. Our strategy takes the full advantage of the AIE property in the solid state and retains the inherent properties of conventional luminophores. It opens a new avenue in the development of stable and efficient solid-state fluorescent materials for OLED application

    Comprehensive Chiral Spectroscopy of Compounds and its Application Research

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    学科交叉是当代科学发展的大趋势,处于学科交叉立交桥地位的手性科学,不仅在化学和医药领域不可或缺,而且在材料、环境和生命科学等领域也有重要应用。其中,手性光谱是进行手性立体化学研究的必备利器,近年来,采用集成的手性光谱[电子圆二色(ECD)、振动圆二色(VCD)、圆偏振发射(CPL)、手性拉曼(ROA)]技术确定手性化合物的绝对构型,已然成为一种主流方法。本文应用集成的ECD和VCD光谱技术,结合晶体结构分析和密度泛函理论(DFT)、含时密度泛函理论(TDDFT)计算,对手性聚集诱导发光(AIE)化合物和手性席夫碱金属络合物的手性立体化学结构、ECD和VCD光谱以及绝对构型关联进行了深入研究,探...Interdisciplinarity is the trend of modern scientific development. As the overpass in the cross-disciplines, chirality plays an important role not only in the fields of chemistry and medicine, but also in the materials, environment and life sciences. In recent years, using comprehensive chiral spectroscopy [electronic circular dichroism (ECD), vibrational circular dichroism (VCD), circularly polar...学位:理学博士院系专业:化学化工学院_无机化学学号:2052013015381