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Nitrogen analogues of Chichibabin's and Müller's hydrocarbons with small singlet-triplet energy gaps
Xiaoguang Hu1, Hanjiao Chen, Lei Zhao
1School of Optoelectronic Science and Engineering, University of Electronic Science and Technology of China (UESTC), Chengdu 610054, People's Republic of China. zhengyonghao@uestc.edu.cn.
Abstract:
Nitrogen analogues of Chichibabin's and Müller's hydrocarbons, DPh-D and TPh-D, based on 1,2,4-benzotriazinyl (Blatter) were studied. The two diradicaloids with good chemical and thermal stability exhibit smaller singlet-triplet energy gaps (ΔES-T from -1.05 to -1.27 kcal mol-1) than the hydrocarbon diradicaloids with the same bridges.