Optically operated second order optical effects in some substituted 4-(5-nitro-1,3-benzoxazol-2-yl)aniline chromophores

• Published in: Dyes and pigments Vol. 141; pp. 333 - 341
• Main Authors: Szlachcic, P., Fedorchuk, A.A., Danel, A., Jarosz, B., El Naggar, A.M., Albassam, A.A., Wojciechowski, A., Gondek, E., Uchacz, T., Stadnicka, K., Lakshminarayana, G., Kityk, I.V.
• Format: Journal Article
• Language: English
• Published: Elsevier Ltd 01.06.2017
• Subjects: Benzoxazole; DFT simulations; Photo-solidification; Second order optical chromophore; X-ray diffraction; Second order optical chromophore; X-ray diffraction; Photo-solidification; DFT simulations; Benzoxazole
• ISSN: 0143-7208; 1873-3743
• DOI: 10.1016/j.dyepig.2017.02.009

In this work, we report on second order nonlinear optical (NLO) susceptibilities of some substituted 4-(5-nitro-1,3-benzoxazol-2-yl)aniline chromophores that were embedded into photopolymer matrices. Depending on the photo-induced nitrogen laser (wavelength 371 nm) power density of photo-solidification we found an optimal photo-solidification parameter to achieve maximum second harmonic generation (SHG). The influence of the π-conjugated bonds on the output second order susceptibility and HOMO-LUMO level positions is analysed. The performed experiments are compared with the theoretically calculated microscopic hyper-polarizabilities obtained within the B3LYP DFT approach. The possible operation by the output SHG efficiency versus the photoinduced laser power density is presented. The role of the intra-molecular and surrounding polymers in the observed nonlinear optical behaviour is explored. [Display omitted] •Second order nonlinear optical susceptibilities of organic chromophores/photopolymer matrices were studied.•Microscopic hyper-polarizabilities were obtained within the B3LYP DFT approach.•SHG efficiency versus the photoinduced laser power density is presented.•DFT simulations confirm the donor–acceptor charge transfer in the observed output second-order efficiencies.•The effects are crucially dependent on the photo-illumination time.