期刊
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
卷 138, 期 24, 页码 7782-7790出版社
AMER CHEMICAL SOC
DOI: 10.1021/jacs.6b04539
关键词
-
资金
- MOE [MOE2014-T3-1-004, MOE2014-T2-1-080]
- Ministerio de Educacion y Ciencia (MINECO) of Spain [CTQ2015-69391-P]
- Basque Government [IT588-13]
- Grants-in-Aid for Scientific Research [16K13952, 16K05700] Funding Source: KAKEN
While the chemistry of open-shell singlet diradicaloids has been successfully developed in recent years, the synthesis of pi-conjugated systems with poly-radical characters (i.e., beyond diradical) in the singlet ground state has been mostly unsuccessful. In this study, we report the synthesis and isolation of two fully fused macrocycles containing four (4MC) and six (6MC) alternatingly arranged quinoidal/aromatic carbazole units. Ab initio electronic structure calculations and various experimental measurements indicate that both 4MC and 6MC have an open-shell singlet ground state with moderate tetraradical and hexaradical characters, respectively. Both compounds can be thermally populated to high-spin excited states, resulting in weak magnetization at room temperature. Our study represents the first demonstration of singlet pi-conjugated molecules with poly-radical characters and also gives some insights into molecular magnetism in neutral g-conjugated polycyclic heteroarenes.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据