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High Exciton Utilization of 1D Molecular Column with High Packing Energy Formed by Folded π-Molecules
Journal of the American Chemical Society ( IF 14.4 ) Pub Date : 2022-09-15 , DOI: 10.1021/jacs.2c06838
Shidang Xu 1 , Bin Liu 1
Affiliation  

π-Molecules play important roles in many applications such as organic light-emitting devices, photocatalysis, photovoltaics, biosensors, and medicine. Very often, π-conjugated molecules with high utilization of excited states in the solid state are of great research interest. However, owing to the gap between molecular structure and effective molecular packing, there are very few designs toward π molecules with very high exciton utilization in the solid state. Herein, we report a new π skeleton, folded π, to achieve high exciton utilization in the solid state. Based on a “folded π” formula, 12 compounds with two or three folding π planes were designed and synthesized. We found that folded π molecules tend to form well-aligned 1D molecular columns of patterns (“box”, “braid”, or “stair”) with high packing energy, which is mainly contributed by numerous weak π interactions. As a result of effective suppression of molecular motion, all the compounds show very high exciton utilization in solids.

中文翻译:

折叠 π 分子形成的高堆积能一维分子柱的高激子利用率

π-分子在许多应用中发挥着重要作用,例如有机发光器件、光催化、光伏、生物传感器和医学。很多时候,在固态中具有高激发态利用率的π共轭分子具有很大的研究兴趣。然而,由于分子结构和有效分子堆积之间的差距,很少有针对在固态下具有很高激子利用率的π分子的设计。在这里,我们报告了一种新的 π 骨架,折叠 π,以实现固态的高激子利用率。基于“折叠 π”公式,设计并合成了 12 种具有两个或三个折叠 π 平面的化合物。我们发现折叠的 π 分子倾向于形成排列良好的 1D 分子柱状图案(“盒子”、“编织”或“阶梯”),具有高堆积能量,这主要是由许多弱 π 相互作用造成的。由于有效抑制了分子​​运动,所有化合物在固体中都表现出非常高的激子利用率。
更新日期:2022-09-15
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