Synthesis, photophysical, electrochemical and computational study of indolocarbazole based donor acceptor type conjugated polymers

K. A. Vishnumurthy; K. H. Girish

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Synthesis, photophysical, electrochemical and computational study of indolocarbazole based donor acceptor type conjugated polymers

机译：合成、光物理、电化学和indolocarbazole计算研究的基础供体受体共轭聚合物类型

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This research reports the synthesis and characterization of two new donor–acceptor type conjugated polymers carrying indolocarbazole as donor, benzothiadiazole and diketopyrrolopyrrole as acceptor via stille coupling polymerization reactions. The structures of the polymer were established by spectroscopic techniques and polymer molecular weight by gel permeation chromatography. Further the linear optical and electrochemical properties of the polymers have been investigated. Polymers showed broad absorption and good fluorescence behaviour with good quantum yields. Optical bandgaps of the polymers were estimated using UV–visible absorption edge and found to be 2.34 and 2.12 eV respectively. Further, theoretical evaluation of the polymers was carried using density functional theory to investigate their geometrical, electrochemical and optical properties using DFT/B3LYP. The obtained results are in good agreement with the experimental results.

机译：本研究合成和报告描述两个新的亲水类型共轭聚合物携带indolocarbazole捐赠者,benzothiadiazole diketopyrrolopyrrole通过stille作为受体偶联聚合反应。建立了光谱技术和聚合物分子量凝胶渗透色谱法。电化学性能的聚合物被调查。吸收和荧光行为良好的量子产量。聚合物被估计使用紫外可见吸收边,发现2.34和2.12 eV分别。聚合物是使用密度泛函调查他们的几何理论,电化学和光学特性使用DFT / B3LYP。与实验结果一致。

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来源
《Chemical papers》 |2021年第5期|1969-1980|共12页
作者
K. A. Vishnumurthy; K. H. Girish;
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作者单位

Department of Chemistry, RV College of Engineering, Bangalore, India;

Department of Mechanical Engineering, RV College of Engineering, Bangalore, India;

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原文格式 PDF
正文语种英语
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关键词
Organic polymers; Frontier molecular orbital; Donorssynthesisgel permeation chromatographyspectroscopic techniquesAbsorption edgesOPTICAL GAPElectrochemical propertiesMolecular weightsresearch report;

机译：有机聚合物;前沿分子轨道;Donorssynthesisgel渗透chromatographyspectroscopic techniquesAbsorptionedgesOPTICAL GAPElectrochemicalpropertiesMolecular weightsresearch报告;

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Synthesis, photophysical, electrochemical and computational study of indolocarbazole based donor acceptor type conjugated polymers

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