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8551139 
Journal Article 
N-(6-羟基己基)-2-甲氧基-8-硝基苯偶氮基咔唑的合成与三阶非线性光学性能 
Zhong, QJ; Zheng, J; Zhang, L; Luo, X 
2020 
1 
Hanneng Cailiao / Chinese Journal of Energetic Materials
ISSN: 1006-9941 
Institute of Chemical Materials, China Academy of Engineering Physics 
28 
3 
190-197 
English 
A new compound N-(6-hexanol)-2-methoxy-8-nitroazophenyl carbazole(HMNAC) was synthesized by electrophilic substitution reaction and post-azo-coupling reaction,and the structure of HMNAC was characterized by IR,1H NMR and 13C NMR. The molecular structure of HMNAC was optimized at the B3LYP/6-31G(d) level. Single point energy was calculated at the MP2/6-31G(d) level. The relative energy ER between cis-trans isomers of HMNAC was found to be 52.43 kJ•mol-1. The third-order nonlinear optical properties of HMNAC were studied by Z-scan technique under nanosecond excitation at 532 nm. Closed-aperture curve has revealed that HMNAC has self-defocusing effect. Open-aperture curve indicated that both saturated absorption and reverse saturated absorption exist in HMNAC. The second-order hyperpolarizability γ of HMNAC was 2.59×10-29 esu,and the figure of merits(FOMs) reached 1.5. © 2020, Editorial Board of Chinese Journal of Energetic Materials. All right reserved. 
Cis-trans isomers; Density functional theory; N-(6-hexanol)-2-methoxy-8-nitroazophenyl carbazole(HMNAC); Third-order nonlinear optical properties; Z-scan