并五苯并双苝及其具有开壳单重态双自由基特征的带电物种与全域芳香性/反芳香性。
Cyclopenta Ring Fused Bisanthene and Its Charged Species with Open-Shell Singlet Diradical Character and Global Aromaticity/ Anti-Aromaticity.
机构信息
Department of Chemistry, National University of Singapore, 3 Science Drive 3, 117543, Singapore, Singapore.
Department of Materials Science and Engineering, National University of Singapore, 119260, Singapore, Singapore.
出版信息
Angew Chem Int Ed Engl. 2017 Sep 11;56(38):11415-11419. doi: 10.1002/anie.201704805. Epub 2017 Jun 29.
Cyclopenta ring fused bisanthene and its charged species were synthesized. The neutral compound has an open-shell singlet ground state and displays global anti-aromaticity. The dication also exhibits singlet diradical character but has a unique [10]annulene-within-[18]annulene global aromatic structure. The dianion is closed-shell singlet in the ground state and shows global aromaticity with 22 π electrons delocalized on the periphery. These findings prrovide new insight into the design and properties of global aromatic/anti-aromatic systems based on π-conjugated polycyclic hydrocarbons.
并环双苝及其带电物种被合成。中性化合物具有开壳单重基态，表现出全局反芳香性。二阳离子也表现出单重自由基特征，但具有独特的[10]轮烯内[18]轮烯全局芳香结构。二阴离子在基态中为闭壳单重态，具有全局芳香性，22 个π电子在其外围离域。这些发现为基于π共轭多环烃的全局芳香/反芳香体系的设计和性质提供了新的见解。
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