外接,不是重原子效应,控制了一系列含硫热激活的延迟光分子的三重动力学
Saliha Öner1, Suman Kuila1,2, Kleitos Stavrou2
1Department of Chemistry, Durham University, Stockton Road, Durham DH1 3LE, U.K.
Chemistry of materials : a publication of the American Chemical Society
|August 19, 2024
概括
将硫等重原子纳入有机分子以获得高效的热激活延迟光 (TADF) 通常是无效的. 在这些TADF材料中,分子间相互作用和外接形成,而不是自旋轨道合,主导着三重分解.
科学领域:
- 有机电子学有机电子学
- 材料科学是一种材料科学.
- 光物理学的光学物理学
背景情况:
- 热激活延迟光 (TADF) 的效率取决于快速的系统间交叉和三重到单重的转换.
- 重原子 (例如,硫,) 添加到TADF分子中以增强自旋轨道合 (SOC).
研究的目的:
- 为了研究硫合并对捐赠-接受分子中TADF特性的影响.
- 为了比较含硫的TADF发射器与它们的非硫对应物,以探测SOC效应.
主要方法:
- 基于子[4,5][2,3-a]碳醇和二 Pyridine 的捐赠-接受分子的合成.
- 光物理研究 (稳态和时间解析),计算建模 (TD-DFT) 和有机发光二极管 (OLED) 测量.
- 含硫分子与非含硫对照分子的比较.
主要成果:
- 与碳素宿主之间的分子间相互作用,导致脱形成,被确定为三重衰变的主要途径.
- 预期的来自硫的重原子效应被外形成和分子间电荷转移所掩盖.
- 即使在碳醇宿主中的未被替代的受体碎片中,也观察到明显的TADF外向发射.
结论:
- 重原子效应并不总是像预期的那样控制或影响TADF发射器特性.
- 排外形形成和分子间相互作用在TADF材料的三重分解动力学中起着至关重要的作用.
- 对于TADF的分子设计,应考虑宿主-客人相互作用和外形成的可能性.
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