AIDE – Design of aggregation-induced dually emissive bichromophores

AIDE â 聚集诱导的双发射双色团的设计

• 批准号: 514325441
• 负责人: Professor Dr. Thomas J. J. Müller
• 金额: --
• 依托单位: Institut für Theoretische Chemie
• 依托单位国家: 德国
• 项目类别: Research Grants
• 资助国家: 德国
• 项目状态: 未结题
• 来源: https://gepris.dfg.de/gepris/projekt/514325441?language=en
• 关键词: AIDE; Design; aggregation; induced; dually

The aim of this project is the development of non-ionic bichromophoremitters with a dual emission or an environment-sensitive mixed color emission. Therefore, the diversity-oriented synthesis of novel bichromophore libraries is conceived and the systematic determination of molecular structural parameters of aggregation-induced dual emission (AIDE) of bichromophores constituted of diversely substituted merocyanines and triarylamines is studied by optical spectroscopy in solution, in particle systems and crystalline solids, assisted by quantum chemical modeling. Bichromophore emitters are envisioned showing environmental changes from aprotic vs protic or polar vs apolar by occurrence of mixed color emission that can be spectroscopically monitored.Two covalently bound emissive chromophores (donor: UV/vis-absorbing, blue emission; acceptor: red-shifted absorption, long wavelength emission) are placed within a Förster radius in a way that upon spectral overlap of the donor's emission band and the acceptor's absorp-tion band enables an energy transfer from „blue“ donor to „red“ acceptor. The red acceptor will be chosen such that its emission can be distinctly increased upon aggregation in solvent mixtures with variable polarity and/or proticity. The resulting emission color of these Bichromophore systems can be tuned by the efficiency of the energy transfer between donor and acceptor and by the efficiency of the acceptor's emission in dependence of its degree of aggregation. Therefore, partial energy transfer and aggregation-induced emission (AIE) of the acceptor are the prerequisites for the desired dual emission contributed by both donor and acceptor. The envisioned goals A) methodological development of the synthesis strategy for AIE-AIDE bichromophore systemsB) spectroscopic identification of merocyanine-based structures with particularly pronounced AIE properties of the acceptor and AIDE properties of the bichromophor system and the relevant molecular masses/environmental parameters such as polarity and viscosity and the temperature dependence of these influences; detailed investigations of the mechanism of the AIDE on selected bichromophores using spectroscopic methods such as time-resolved emission measurements (ps to ns range) and customer-based modelling (QM/MM treatment based on crystal structure analyses)C) mechanistic rationalization of the underlying energy transfer processesD) strategies for stabilization of bichromophore-based aggregates and preparation and characterization of water dispersible bichromophore nanoparticles E) aggregation studies on particle surfaces for prediction of the optical properties of markers on the basis of AIE-AIDE bichromophoreswill be achieved in synergetic collaboration between organic synthesis, physical organic chemistry and optical spectroscopy.

该项目的目的是开发具有双重发射或环境敏感混合颜色发射的非离子型双色发射剂。因此，多样性为导向的新的双色团库的合成的构想和系统的测定的聚集诱导的双发射（AIDE）的分子结构参数的双色团构成的二取代的部花青和三芳基胺的研究通过在溶液中的光学光谱，在颗粒系统和结晶固体，辅助量子化学建模。设想双发色团发射体通过出现可以光谱监测的混合颜色发射来显示从非质子对质子或极性对非极性的环境变化。（供体：UV/可见光吸收，蓝光发射;受体：红移吸收，长波长发射）被放置在福斯特半径内，其方式是在供体的发射带和受体的发射带的光谱重叠时，离子带使得能量能够从“蓝色”供体转移到“红色”受体。红色受体将被选择为使得其发射可以在具有可变极性和/或质子性的溶剂混合物中聚集时明显增加。这些双色团系统的所得发射颜色可以通过供体和受体之间的能量转移效率和受体发射效率（取决于其聚集程度）来调节。因此，受体的部分能量转移和聚集诱导发射（AIE）是由供体和受体贡献的所需双发射的先决条件。设想的目标A）AIE-AIDE双发色团体系的合成策略的方法学开发B）具有受体的特别显著的AIE性质和双发色团体系的AIDE性质以及相关分子量/环境参数（例如极性和粘度）和这些影响的温度依赖性的部花青基结构的光谱鉴定;使用光谱方法（如时间分辨发射测量）详细研究AIDE对选定的双色团的作用机制（ps至ns范围）和基于客户的建模（基于晶体结构分析的QM/MM处理）C）潜在能量转移过程的机械合理化D）稳定基于双发色团的聚集体以及制备和表征水分散性双发色团纳米颗粒的策略E）基于AIE-AIDE双发色团预测标记物光学性质的颗粒表面聚集研究将在有机合成、物理有机化学和光谱学之间的协同合作中实现。