彩票大全软件

Circumacenes with unique electronic structures have garnered significant interest in both fundamental science and nanoelectronics. However, their synthesis and investigations into the structure–property relationships present considerable challenges. In this work, we report the successful synthesis and characterization of a stable circumtetracene derivative in crystalline form. For comparison, a new circumanthracene derivative was also prepared. The electronic properties of both compounds were systematically investigated using both various experimental techniques and DFT calculations. It was found that circumtetracene exhibits a dominant local aromatic nature with small open‐shell diradical character, while circumanthracene displays a closed‐shell global aromatic character. Both compounds show amphoteric redox behavior with narrow energy gaps. The dication of circumtetracene and the dianions of circumtetracene and circumanthracene can be obtained experimentally through chemical oxidation and reduction, all displaying intense NIR absorptions. Furthermore, the electronic properties of these derivatives were compared with those of previously reported circumacene analogues, revealing a transition in electronic structure from closed‐shell global aromatic to singlet open‐shell local aromatic configurations upon π‐extension. This work provides a comprehensive exploration of the structure‐property relationships within the circumacene series, offering valuable insights for the design and synthesis of novel multizigzag‐edged nanographenes with tunable electronic properties.

中文翻译：

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Circumtetracene 的合成和表征：揭示 Circumacene 的结构-性能关系


具有独特电子结构的 circumacenes 在基础科彩票大全软件和纳米电子彩票大全软件中都引起了极大的兴趣。然而，他们对结构-性质关系的综合和研究带来了相当大的挑战。在这项工作中，我们报道了以晶体形式成功合成和表征稳定的环四烯衍生物。为了进行比较，还制备了一种新的环曼色衍生物。使用各种实验技术和 DFT 计算系统研究了两种化合物的电子性质。研究发现，环四烯表现出占主导地位的局部芳香性质，具有小的开壳双自由基特征，而环芒苏森表现出封闭壳整体芳香特征。两种化合物都表现出具有窄能隙的两性氧化还原行为。环四烯的二元组以及环四烯和环四烯的二元离子可以通过化彩票大全软件氧化和还原实验获得，都显示出强烈的 NIR 吸收。此外，将这些衍生物的电子性质与先前报道的环环相烯类似物的电子性质进行了比较，揭示了在π延伸时电子结构从闭壳整体芳烃转变为单线态开壳局部芳烃构型。这项工作全面探索了 circumacene 系列内的结构-性能关系，为设计和合成具有可调电子特性的新型多锯齿形边缘纳米石墨烯提供了有价值的见解。