Efficient thermally-activated delayed fluorescence in endohedral metallofullerenes

内嵌金属富勒烯的高效热激活延迟荧光

• 批准号: 421793592
• 负责人: Dr. Alexey A. Popov
• 金额: --
• 依托单位: Institut für Festkörperforschung
• 依托单位国家: 德国
• 项目类别: Research Grants
• 财政年份: 2019
• 资助国家: 德国
• 起止时间: 2018-12-31 至 2022-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/421793592?language=en
• 关键词: Efficient; thermally; activated; delayed; fluorescence

The recent discovery of efficient thermally activated delayed fluorescence (TADF) in the endohedral metallofullerene (EMF) Y3N@C80 indicates that EMFs can be strongly luminescent materials. However, the photophysical properties and the electron distribution in their excited states are not well understood. In this project a systematic study of the luminescent properties of a series of EMFs and their derivatives will be performed. Variable-temperature steady-state and time-resolved luminescence measurements will reveal other EMFs showing efficient TADF. The influence of chemical derivatization on the TADF will be studied for fullerene cyclo- and radical adducts with different addition patterns. Conventional and optically-detected electron spin resonance spectroscopy will be used to study the spin density distribution in the photoexcited triplet states of EMFs. Time-dependent DFT calculations will be performed to predict energetics and spatial distribution of electron excitations in EMFs and rationalize experimental observations. This work will disclose the factors affecting the mechanism of the radiative and non-radiative decay of the photoexcited states and efficiency of the luminescence of EMFs and establish their potentials as emitters in the red to NIR range, as thermal sensors, or as singlet oxygen sensitizers.

最近在内嵌金属富勒烯（EMF）Y3N@C80中发现的高效热激活延迟荧光（TADF）表明EMF可以是强发光材料。然而，它们的电子物理性质和激发态的电子分布还没有很好的了解。本计画将对一系列电磁场及其衍生物的发光特性进行系统的研究。变温稳态和时间分辨发光测量将揭示其他EMF显示有效的TADF。化学衍生化对TADF的影响将研究富勒烯环和自由基加合物与不同的添加模式。传统的和光学检测的电子自旋共振光谱将被用来研究自旋密度分布的光激发三重态的电动势。将进行与时间相关的DFT计算，以预测电动势中电子激发的能量和空间分布，并使实验观察合理化。这项工作将揭示影响光激发态的辐射和非辐射衰减的机制和EMF的发光效率的因素，并建立它们作为红色到NIR范围内的发射体、作为热传感器或作为单线态氧敏化剂的潜力。