Abstract
Seven new quinacridone derivatives were designed and synthesized. The relationship between molecular structure and nonlinear optical properties was studied by cyclic voltammetry, DFT calculation and Z-scan. By introducing strong electron donating groups at the two sides of the quinacridone, and then introducing a strong electron withdrawing group dicyanoethylene group, the band gap of the molecule can be effectively reduced, and the intramolecular charge transfer can be promoted. The results shown that the HOMO/LUMO band gaps of the target compounds are all reduced, and QA-F has the best third-order nonlinear optical performance, and its γ (γ = 5.32 × 10−33 esu) is 4.38 times that of QA-1 (γ = 1.21 × 10−33 esu).
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