Fine-tuning the diradical character of molecular systems via the heteroatom effect

Wenxiang Wang; Lingbing Ge; Guodong Xue; Fang Miao; Pingan Chen; Hanjiao Chen; Yiwei Lin; Yong Ni; Jingyuan Xiong; Yuanyuan Hu; Jishan Wu; Yonghao Zheng

doi:10.1039/C9CC08538F

Fine-tuning the diradical character of molecular systems via the heteroatom effect†

Wenxiang Wang,‡^a Lingbing Ge,‡^a Guodong Xue,^a Fang Miao,*^a Pingan Chen,^b Hanjiao Chen,^c Yiwei Lin,^a Yong Ni,^d Jingyuan Xiong,^e Yuanyuan Hu,^b Jishan Wu

^d and Yonghao Zheng

*^a

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* Corresponding authors

^a Department School of Optoelectronic Science and Engineering Institution University of Electronic Science and Technology of China (UESTC), Chengdu 610054, China
E-mail: miaofang@uestc.edu.cn, zhengyonghao@uestc.edu.cn

^b Key Laboratory for Micro/Nano Optoelectronic Devices of Ministry of Education & Hunan Provincial Key Laboratory of Low-Dimensional Structural Physics and Devices School of Physics and Electronics Hunan University, Changsha 410082, China

^c Analytical & Testing Center Sichuan University, Chengdu 610064, China

^d Department of Chemistry, National University of Singapore, 3 Science Drive 3, Singapore

^e West China School of Public Health and Healthy Food Evaluation Research Center, Sichuan University, Chengdu 610041, China

Abstract

Heteroatoms were introduced as a novel modification strategy for fine-tuning the diradical character of molecular systems. Both the diradical character and the singlet–triplet energy gaps of diketopyrrolopyrrole based phenoxyl diradicaloids decreased as the size of the substituted heteroatoms (from O, S to Se atom) increased.

Chemical Communications

Fine-tuning the diradical character of molecular systems via the heteroatom effect†

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Fine-tuning the diradical character of molecular systems via the heteroatom effect

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