Scholarlink

<p>Inorganic-type benzenes have attracted significant attention due to their unique physical and chemical properties that are different from organic benzene. In this study, we theoretically investigate the possibility of inorganic benzenes as wide-gap materials with inverted singlet and triplet (iST) excited states. Since iST materials are expected to allow extremely efficient triplet to singlet conversion, they are promising as fluorescent and assist dopant materials for light-emitting diodes. From theoretical calculations, borazine (B<sub>3</sub>N<sub>3</sub>H<sub>6</sub>), one of the most well-known inorganic benzenes, and its derivatives are expected not only to show iST but also to exhibit fast radiative decays surpassing those of typical iST materials: azaphenalene derivatives. Borthiin (B<sub>3</sub>S<sub>3</sub>H<sub>3</sub>), boroselenol (B<sub>3</sub>Se<sub>3</sub>H<sub>3</sub>), and the gallium-nitride analogue of benzene (Ga<sub>3</sub>N<sub>3</sub>H<sub>6</sub>) are also expected to show iST with wide optical gaps.</p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Inorganic benzenes with inverted singlet-triplet gaps

  • 期刊论文

  • 出版模式：

    开放获取

  • 发表日期：

    2026年7月18日

查看全文
  • Katsuyuki Shizu,
  • Kuraudo Ishihara,
  • Hiroki Uratani,
  • Hironori Kaji

摘要

Inorganic-type benzenes have attracted significant attention due to their unique physical and chemical properties that are different from organic benzene. In this study, we theoretically investigate the possibility of inorganic benzenes as wide-gap materials with inverted singlet and triplet (iST) excited states. Since iST materials are expected to allow extremely efficient triplet to singlet conversion, they are promising as fluorescent and assist dopant materials for light-emitting diodes. From theoretical calculations, borazine (B3N3H6), one of the most well-known inorganic benzenes, and its derivatives are expected not only to show iST but also to exhibit fast radiative decays surpassing those of typical iST materials: azaphenalene derivatives. Borthiin (B3S3H3), boroselenol (B3Se3H3), and the gallium-nitride analogue of benzene (Ga3N3H6) are also expected to show iST with wide optical gaps.