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用于显示应用的含n-供体配体的红色发光铕(III)β-二酮配合物的计算与光电研究

Computational and optoelectronic investigations of red-emissive europium (III) β-diketonate with n-donor ligands for display applications.

作者信息

Redhu Sonia, Singh Devender, Nehra Kapeesha, Kumar Sumit, Malik Rajender Singh, Kumar Parvin, Sindhu Jayant

机构信息

Department of Chemistry, Maharshi Dayanand University, Rohtak 124001, Haryana, India.

Department of Chemistry, Maharshi Dayanand University, Rohtak 124001, Haryana, India.

出版信息

Spectrochim Acta A Mol Biomol Spectrosc. 2024 Jul 5;315:124307. doi: 10.1016/j.saa.2024.124307. Epub 2024 Apr 17.

Abstract

Europium complexes exhibiting red luminescence were prepared by employing β-diketone as main ligand and 1,10-phenanthroline as an additional ligand. Various methods, including H NMR, IR spectroscopy and analysis of optical band gap were employed to examine these complexes. The luminescent photophysical properties were investigated using PL spectroscopy and theoretical calculations were conducted to explore radiative transitions probabilities and Judd-Ofelt (J-O) parameters for transitions of type D → F. J-O parameters were determined using the JOES computer program and results were in good agreement with the outcomes obtained experimentally. The luminescence analysis results have verified the vibrant, single-color red emission of the prepared complexes. The band gap of ternary europium complexes, determined optically, electronically, and theoretically, falls within the range of 3-4 eV. This similarity indicates that these complexes are potentially suitable as semiconductor materials. The results from absorption, electrochemical and photophysical analyses indicate the potential use of synthesized complexes in lighting and display applications.

摘要

以β-二酮为主要配体、1,10-菲咯啉为辅助配体制备了具有红色发光特性的铕配合物。采用多种方法,包括核磁共振氢谱(¹H NMR)、红外光谱以及光学带隙分析来研究这些配合物。利用光致发光光谱(PL光谱)研究了发光光物理性质,并进行了理论计算以探索D → F型跃迁的辐射跃迁概率和贾德-奥费尔特(J-O)参数。使用JOES计算机程序确定J-O参数,结果与实验所得结果吻合良好。发光分析结果证实了所制备配合物具有鲜艳的单红色发射。通过光学、电子学和理论方法测定的三元铕配合物的带隙在3 - 4电子伏特范围内。这种相似性表明这些配合物有潜力用作半导体材料。吸收、电化学和光物理分析结果表明合成的配合物在照明和显示应用中具有潜在用途。

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