咔唑基铱(Ⅲ)磷光探针检测硝基芳烃及福井函数理论
王子昂, 曹利星, 邵盼, 朱梦宇, 刘恩宁, 梁爽, 邢杨, 狄玲, 杨占旭

Detection and Theoretical Study of Fukui Function of Nitroaromatics by Carbazole‑Based Iridium(Ⅲ) Phosphorescent Probe
Zi-Ang WANG, Li-Xing CAO, Pan SHAO, Meng-Yu ZHU, En-Ning LIU, Shuang LIANG, Yang XING, Ling DI, Zhan-Xu YANG
图6 Ir(ppyCz)3及硝基芳烃的前线轨道能级及电子密度等值面
Fig.6 Front orbital energy levels and electron density isosurfaces of Ir(ppyCz)3 and nitroaromatics