On the Influence of Substitution Patterns in Thioether‐Based Luminophores with Aggregation‐Induced Emission Properties
On the Influence of Substitution Patterns in Thioether‐Based Luminophores with Aggregation‐Induced Emission Properties
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DOI：
10.1002/slct.201702900
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发表时间：
2018-01
期刊：
影响因子：
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通讯作者：
Jacqueline Stelzer;Cecilia Vallet;Andrea Sowa;Darío González-Abradelo;S. Riebe;C. Daniliuc;Martin Ehlers-Mar
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文献类型：
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作者：
Jacqueline Stelzer;Cecilia Vallet;Andrea Sowa;Darío González-Abradelo;S. Riebe;C. Daniliuc;Martin Ehlers-Mar
在这项工作中，我们提出了一个完整的研究取代模式的影响芳香族硫醚基发光体与聚集诱导发射性能。为此，9个不同的化合物，无论是与腈基团inortho，间或对位以及苯酚基团在不同的位置合成和研究有关它们的物理性质。此外，还获得了8种化合物的单晶进行X射线分析，以更深入地了解堆积参数，次级相互作用及其对这些化合物性质的影响。含时密度泛函理论计算有助于理解前线轨道的分布。此外，分析了这些纳米结构作为细胞标记物的适用性。因此，我们可以表明，形状和取代模式的细微差异确实会显著影响化合物的生物物理性质以及细胞摄取。
In this work we present a full study on the influence of substitution patterns in aromatic thioether‐based luminogens with aggregation induced emission properties. To this end nine different compounds, either with nitrile groups inortho,metaorparapositions as well as phenol groups in different positions were synthesized and investigated concerning their photophysical properties. Besides that, eight compounds were obtained as single crystals for X‐ray analysis to get a deeper understanding on the packing parameters, secondary interactions as well their influence on the properties of these compounds. Time dependent density functional theory calculations helped to understand the distribution of the frontier orbitals. Moreover, these nanostructures were analysed concerning their applicability as cellular markers. We could thus show that indeed subtle differences in shape and substitution pattern dramatically influence the photophysical properties as well as cellular uptake of the compounds.