A series of quinacridone third-order nonlinear optical chromophores containing phenyl, 4-methoxyphenyl and N,N-bis(4-methoxyphenyl)aniline groups were designed and synthesized. The optical properties, electrical properties, theoretical calculations and Z-Scan of the compounds were measured and analyzed to investigate the relationship between structure and third-order NLO properties. The experimental results showed that the introduction of electron-donating groups at the N-position of quinacridone decreases the energy gap (E_gap) between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) of the molecule, and promotes intramolecular charge transfer (ICT). Quinacridone derivatives containing N, N-bis (4-methoxyphenyl) aniline have good third-order nonlinear optical properties, with the nonlinear absorption coefficient (β) value of 1.4319 × 10⁻¹³ and the second-order superpolarizability (γ) of 2.6849 × 10⁻³³ esu.

设计并合成了一系列含苯基，4-甲氧基苯基和N，N-双（4-甲氧基苯基）苯胺基的喹ac啶酮三阶非线性发色团。测量并分析了化合物的光学性质，电性质，理论计算和Z-扫描，以研究结构与三阶NLO性质之间的关系。实验结果表明，在喹ac啶酮的N位置引入供电子基团可减少分子的最高占据分子轨道（HOMO）与最低未占据分子轨道（LUMO）之间的能隙（E _gap），并且促进分子内电荷转移（ICT）。含N，N的喹Quin啶酮衍生物-双（4-甲氧基苯基）苯胺具有良好的三阶非线性光学特性，其非线性吸收系数（β）值为1.4319×10 ^-13，二阶超极化率（γ）为2.6849×10 ^-33  esu。