应变能促使四苯基乙烯可调聚集诱导发射特性的研究。

IF 16.9 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY
Kai Lan, Cefei Zhang, Yifei Li, Prof. Dr. Changwei Hu, Prof. Dr. Zhishan Su, Prof. Dr. Chuyang Cheng
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引用次数: 0

摘要

具有聚集诱导发光(AIE)特性的有机分子由于其优异的固态发光特性而引起了人们的广泛关注。对AIE机制的理解一直是理论和实验研究的焦点。虽然势能面(PESs)上的锥形相交(CI)动力学已成为阐明AIE机制的关键因素,但调节CI的可及性以调节非辐射衰变途径仍然是一个重大挑战。本文提出了一种利用环对苯乙烯(CPPs)引入的应变能来调节四苯基乙烯(TPE) AIE性能的新策略。我们合成并表征了一系列具有不同尺寸和内/外乙烯基基团的tpe - cps。研究了这些应变TPE-CPPs的光物理性质和AIE行为。Endo-TPE-CPPs表现AIE,而Exo-TPE-CPPs不表现AIE,与无应变TPE大环相反。Endo-TPE-CPPs和Exo-TPE-CPPs的发光可以通过调节环中苯基的数目来进一步调节。利用密度泛函理论(DFT)计算和时间分辨吸收光谱研究了它们的激发态动力学。应变能诱导TPE的结构畸变,稳定或提高过渡态(TS),从而调节对CI的可及性,实现可调的AIE性能。这些发现为设计AIE分子提供了新的见解。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Strain Energy Prompted Tunable Aggregation-Induced Emission Property of Tetraphenylethylene

Strain Energy Prompted Tunable Aggregation-Induced Emission Property of Tetraphenylethylene

Organic molecules exhibiting aggregation-induced emission (AIE) have attracted considerable attention due to their exceptional solid-state luminescent properties. Understanding the AIE mechanism has been a focal point of both theoretical and experimental research. While conical intersection (CI) dynamics on potential energy surfaces (PESs) have emerged as a key factor in elucidating the AIE mechanism, modulating the accessibility to CI to regulate the non-radiative decay pathways remains a substantial challenge. Here we propose a new strategy leveraging strain energy introduced by cycloparaphenylenes (CPPs) to tune the AIE property of tetraphenylethylene (TPE). We synthesized and characterized a series of TPE-incorporated CPPs with varying sizes and endo/exo vinyl moieties. The photophysical properties and AIE behavior of these strained TPE-CPPs were meticulously examined. Endo-TPE-CPPs exhibit AIE, while Exo-TPE-CPPs do not, opposite to strain-free TPE macrocycles. The luminescence of Endo-TPE-CPPs and Exo-TPE-CPPs can be further tuned by adjusting the number of phenylene units in the loop. Their excited-state dynamics were investigated using density functional theory (DFT) calculation and time-resolved absorption spectroscopy. The strain energy induces structural distortion of TPE, stabilizing or elevating the transition state (TS), thereby regulating the accessibility to CI and enabling tunable AIE properties. These findings provide new insights for designing AIE molecules.

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来源期刊
CiteScore
26.60
自引率
6.60%
发文量
3549
审稿时长
1.5 months
期刊介绍: Angewandte Chemie, a journal of the German Chemical Society (GDCh), maintains a leading position among scholarly journals in general chemistry with an impressive Impact Factor of 16.6 (2022 Journal Citation Reports, Clarivate, 2023). Published weekly in a reader-friendly format, it features new articles almost every day. Established in 1887, Angewandte Chemie is a prominent chemistry journal, offering a dynamic blend of Review-type articles, Highlights, Communications, and Research Articles on a weekly basis, making it unique in the field.
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