Shimizu Akihiro, Morikoshi Tetsuya, Sugisaki Kenji, Shiomi Daisuke, Sato Kazunobu, Takui Takeji, Shintani Ryo
Division of Chemistry, Department of Materials Engineering Science, Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka, 560-8531, Japan.
Department of Chemistry and Molecular Materials Science, Graduate School of Science, Osaka City University, Sumiyoshi-ku, Osaka, 558-8585, Japan.
Angew Chem Int Ed Engl. 2022 Jul 18;61(29):e202205729. doi: 10.1002/anie.202205729. Epub 2022 May 31.
Design, synthesis, and isolation of a Kekulé hydrocarbon with a triplet ground state is described. Its triplet ground state was unambiguously confirmed by ESR experiments, and the structure and fundamental physical properties were also revealed. The key feature of the molecular design is the decrease in the bonding interaction in the singlet state by aromatic stabilization of benzene rings and the increase of the exchange interaction of unpaired electrons which are favorable for the triplet state. These results contribute to the development of hydrocarbon-based organic magnetic materials.
描述了一种具有三重态基态的凯库勒烃的设计、合成与分离。通过电子自旋共振（ESR）实验明确证实了其三重态基态，并揭示了其结构和基本物理性质。分子设计的关键特征是通过苯环的芳香稳定作用降低单重态下的键合相互作用，以及增加有利于三重态的未成对电子的交换相互作用。这些结果有助于基于烃的有机磁性材料的发展。
