Air stable high-spin blatter diradicals: non-Kekule versus Kekule structures

作者：Hu, Xiaoguang; Zhao, Lei; Chen, Hanjiao^*; Ding, Yousong; Zheng, Yan-Zhen; Miao, Mao-sheng; Zheng, Yonghao

来源：Journal of Materials Chemistry C, 2019, 7(22): 6559-6563.

DOI：10.1039/c8tc05150j

• CLOSED-SHELL
• BIS(TRIARYLAMINE) DICATIONS
• GROUND-STATES
• SINGLET
• CONFORMATION
• CHICHIBABINS
• DERIVATIVES
• ABSORPTION
• THIELES
• ANALOGS

Air stable high-spin diradicals under ambient conditions are relatively rare. We report two 1,2,4-benzotriazinyl based diradicals, non-Kekule ' o-DBT and Kekule ' p-DBT, with a highly twisted bridge. The studies of magnetic susceptibilities reveal that both diradicals possess singlet ground states and small singlet-triplet energy gaps (DEs-t = 0.21 and 0.18 kcal mol 1 for o-DBT and p-DBT, respectively), leading to a thermal accessible triplet excited state. Furthermore, variable-temperature electron spin resonance discloses that the average distance between the two spin centers of o-DBT and p-DBT increases with increasing temperature. Finally, both diradical molecules show very high stabilities under high power irradiation and thermal treatment. In particular, the powder of o-DBT exhibits excellent thermal stability up to 270 1C without noticeable decomposition.

• 单位
  四川大学; 西安交通大学; 电子科技大学