We have designed and synthesized an anthracene-based zwitterion, 2-methyl-2-azoniaanthracene-7-olate. The zwitterion shows amphoteric redox properties and low-energy-light absorption originating from the small HOMO–LUMO energy gap of ca. 1.7 eV. DFT calculations show that the combination of replacing the C–H with N+–Me and introducing O− is necessary to alter the electronic structure and properties of anthracene significantly.

中文翻译：

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具有小的 HOMO-LUMO 能隙的蒽基两性离子

我们设计并合成了一种基于蒽的两性离子，2-methyl-2-azoniaanthracene-7-olate。两性离子显示出两性氧化还原特性和源自约 HOMO-LUMO 小能隙的低能量光吸收。1.7 电子伏特。DFT 计算表明，用 N+-Me 代替 C-H 和引入 O-的组合对于显着改变蒽的电子结构和性质是必要的。