1, 8-萘酰亚胺衍生物的合成、表征及电存储性能

王漪,贾南方,齐胜利,田国峰,武德珍

Synthesis, Characterization and Memory Performance of Naphthalimides Containing Various Electron-Withdrawing Moieties

Yi WANG,Nan-Fang JIA,Sheng-Li QI,Guo-Feng TIAN,De-Zhen WU

表2 B3LYP/6-31G(d)级别上单酐、单胺及三种目标化合物的分子模拟轨道计算

Table 2 Molecular simulation results of NA-ATPA, NA(CN)-ATPA and NA(NO2)-ATPA at B3LYP/6-31G(d) level.

ATPA NA NA(CN) NA(NO2) NA-ATPA NA(CN)-ATPA NA(NO2)-ATPA LUMO ?0.21 eV ?2.72 eV ?3.39 eV ?3.62 eV ?2.37 eV ?3.01 eV ?3.27 eV HOMO ?4.62 eV ?6.82 eV ?7.27 eV ?7.39 eV ?4.93 eV ?5.08 eV ?5.10 eV Eg/eV 4.41 4.10 3.88 3.77 2.56 2.07 1.83