Lin Zhaohang, Chen Li, Xu Qiang, Shao Guangwei, Zeng Ziyue, Wu Di, Xia Jianlong
School of Chemistry, Chemical Engineering and Life Science, Wuhan University of Technology, Wuhan 430070, P. R. China.
State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Center of Smart Materials and Devices, Wuhan University of Technology, Wuhan 430070, P. R. China.
Org Lett. 2020 Apr 3;22(7):2553-2558. doi: 10.1021/acs.orglett.0c00453. Epub 2020 Mar 13.
Herein, two bis(dicyanomethylene)-substituted quinoidal molecules and were designed and synthesized to explore the open-shell effect on tuning the charge transport behavior of organic π-functional materials. The biradical character of was confirmed by DFT calculation, variable-temperature NMR, electron spin resonance (ESR), and superconducting quantum-interfering device (SQUID). The open-shell character enables an ambipolar characteristic under ambient conditions with highly balanced electron and hole mobilities of 0.32 and 0.16 cm V s, respectively.
在此，设计并合成了两种双（二氰基亚甲基）取代的醌型分子和，以探索开壳效应在调节有机π功能材料电荷传输行为方面的作用。通过密度泛函理论（DFT）计算、变温核磁共振（NMR）、电子自旋共振（ESR）和超导量子干涉装置（SQUID）证实了的双自由基特性。这种开壳特性使在环境条件下具有双极性特征，电子和空穴迁移率高度平衡，分别为0.32和0.16 cm² V⁻¹ s⁻¹。
