1,2,3‐Tri(9‐anthryl)benzene: Photophysical Properties and Solid‐State Intermolecular Interactions of Radially Arranged, Congested Aromatic π‐Planes**
1,2,3‐Tri(9‐anthryl)benzene: Photophysical Properties and Solid‐State Intermolecular Interactions of Radially Arranged, Congested Aromatic π‐Planes**
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1,2,3-三(9-蒽基)苯：径向排列、稠密芳香π平面的光物理性质和固态分子间相互作用**
DOI：
10.1002/chem.202104245
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发表时间：
2022
期刊：
影响因子：
--
通讯作者：
Kubo Takashi
中科院分区：
文献类型：
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作者：
Nishiuchi Tomohiko;Sotome Hikaru;Shimizu Kazuto;Miyasaka Hiroshi;Kubo Takashi
我们报道了基于Negishi偶联的1，2，3-三（9-蒽基）苯衍生物的合成，这些衍生物包含在π簇中的三个放射状排列的蒽。在未取代衍生物的结晶状态下，蒽单元之间的分子间π-π和CH-π相互作用驱动二维堆积结构的形成。由于蒽单元之间的空间π共轭，这些物质具有独特的电子性质。通过瞬态吸收测量和量子化学计算阐明了三个蒽部分之间发生的激发态动力学行为，例如激子局域化/离域化。有趣的是，尽管三个蒽在它们的C-9位置之间接近3.0 π，但由于径向排列的芳环的柔性性质，激子在两个蒽单元上的定位在能量上是有利的。
We report the Negishi coupling based synthesis of 1,2,3‐tri(9‐anthryl)benzene derivatives containing three radially arranged anthracenes in a π‐cluster. In the crystalline state of the unsubstituted derivative, intermolecular π–π and CH–π interactions between the anthracene units drive the formation of the two‐dimensional packing structure. Owing to though‐space π‐conjugation between anthracene units, the substances have unique electronic properties. The excited‐state dynamic behavior occurring between the three anthracene moieties, such as exciton localization/delocalization, was elucidated by means of transient absorption measurements and quantum chemical calculations. Interestingly, even though the three anthracenes are closely oriented with approximately 3.0 Å between their C‐9 positions, exciton localization on two anthracene units is energetically favorable because of the flexible nature of the radially arranged aromatic rings.