Experimental and Computational Investigation of the Photophysical Properties of a Series of Luminescent D-A-D' and D-A-A' Pyrimidines

IF 3 4区 化学 Q3 CHEMISTRY, PHYSICAL ChemPhotoChem Pub Date : 2024-08-23 DOI:10.1002/cptc.202400216
Baldeep K Sidhu, Issiah B Lozada, Rathiesh Pandian, Ibrahim Alfurayj, Clemens Burda, David E. Herbert
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Abstract

Pyrimidines, a prominent isomer class of diazines, are promising molecular constituents of electron-deficient luminescent and hole-transport materials. Here, we report the fluorescence lifetimes and describe the electronic structures and character of low-lying emissive excited states of a series of synthetically accessible donor-acceptor-donor (D-A-D') and donor-acceptor-acceptor (D-A-A') type pyrimidines, including both all-organic and hybrid organic-organometallic analogues. We find that strategically varying the aryl substituents on a pyrimidine enables tuning of the character of the luminescent excited states from charge-transfer (CT) to locally excited (LE) states, which then differ in their sensitivity to their environment. This study suggests structural handles for controlling the photophysics of arylpyrimidines relevant to a variety of applications for luminescent materials.
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一系列发光 D-A-D' 和 D-A-A' 嘧啶的光物理性质的实验和计算研究
嘧啶是重氮类化合物的一个重要异构体,是很有前途的缺电子发光和空穴传输材料的分子成分。在这里,我们报告了一系列可合成的供体-受体-受体(D-A-D')和供体-受体-受体(D-A-A')型嘧啶(包括全有机和有机-有机金属混合类似物)的荧光寿命,并描述了它们的电子结构和低洼发射激发态的特征。我们发现,通过战略性地改变嘧啶上的芳基取代基,可以调整从电荷转移(CT)态到局部激发(LE)态的发光激发态的特性,从而使它们对环境的敏感性有所不同。这项研究提出了控制芳基嘧啶光物理的结构方法,这些方法与发光材料的多种应用有关。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
ChemPhotoChem
ChemPhotoChem Chemistry-Physical and Theoretical Chemistry
CiteScore
5.80
自引率
5.40%
发文量
165
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