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

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Abstract

Air stable high-spin diradicals under ambient conditions are relatively rare. We report two 1,2,4-benzotriazinyl based diradicals, non-Kekulé o-DBT and Kekulé 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 (ΔEs–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 °C without noticeable decomposition.

Graphical abstract: Air stable high-spin blatter diradicals: non-Kekulé versus Kekulé structures

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Publication details

The article was received on 12 Oct 2018, accepted on 23 Jan 2019 and first published on 04 Feb 2019


Article type: Paper
DOI: 10.1039/C8TC05150J
J. Mater. Chem. C, 2019, Advance Article

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

    X. Hu, L. Zhao, H. Chen, Y. Ding, Y. Zheng, M. Miao and Y. Zheng, J. Mater. Chem. C, 2019, Advance Article , DOI: 10.1039/C8TC05150J

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