Hückel- and Baird-Type Global Aromaticity in a 3D Fully Conjugated Molecular Cage,Angewandte Chemie International Edition

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Hückel- and Baird-Type Global Aromaticity in a 3D Fully Conjugated Molecular Cage
Angewandte Chemie International Edition ( IF 16.1 ) Pub Date : 2021-12-27 , DOI: 10.1002/anie.202115571
Shaofei Wu ₁ , Yong Ni ₁ , Yi Han ₁ , Xudong Hou ₁ , Congyong Wang _{1,

2} , Wenping Hu ₂ , Jishan Wu _{1,

2}

Affiliation

Hückel- and Baird-type global aromaticity was observed in a 3D fully conjugated molecular cage at different oxidation states. The dication 1²⁺ has an open-shell singlet ground state and is 3D globally aromatic, with individual macrocycles being 2D Hückel aromatic; the tetracation 1⁴⁺ has a triplet ground state and is also 3D globally aromatic, with individual macrocycles being 2D Baird aromatic.

中文翻译：

3D 全共轭分子笼中的 Hückel 和 Baird 型全局芳香性

在不同氧化态的 3D 全共轭分子笼中观察到 Hückel 和 Baird 型全局芳香性。双阳离子1 ²⁺具有开壳单线态基态，是 3D 全局芳族，单个大环是 2D Hückel 芳族；四阳离子1 ⁴⁺具有三重基态，也是 3D 全局芳族，单个大环是 2D Baird 芳族。

更新日期：2021-12-27

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