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- Title
Crystalline Diradical Dianions of Pyrene‐Fused Azaacenes.
- Authors
Chen, Chao; Ruan, Huapeng; Feng, Zhongtao; Fang, Yong; Tang, Shuxuan; Zhao, Yue; Tan, Gengwen; Su, Yuanting; Wang, Xinping
- Abstract
Although diradicals and azaacenes have been greatly attractive in fundamental chemistry and functional materials, the isolable diradical dianions of azaacenes are still unknown. Herein, we describe the first isolation of pyrene‐fused azaacene diradical dianion salts [(18‐c‐6)K(THF)2]+[(18‐c‐6)K]+⋅12−.. and [(18‐c‐6)K(THF)]2+⋅22−.. by reduction of the neutral pyrene‐fused azaacene derivatives 1 and 2 with excess potassium graphite in THF in the presence of 18‐crown‐6. Their electronic structures were investigated by various experiments, in conjunction with theoretical calculations. It was found that both dianions are open‐shell singlets in the ground state and their triplet states are thermally readily accessible owing to the small singlet–triplet energy gap. This work provides the first examples of crystalline diradical dianions of azaacenes with considerable diradical character.
- Subjects
DIANIONS; BAND gaps; ELECTRONIC structure; POTASSIUM dihydrogen phosphate
- Publication
Angewandte Chemie, 2020, Vol 132, Issue 29, p11892
- ISSN
0044-8249
- Publication type
Article
- DOI
10.1002/ange.202001842