Molecular structure tuning impact on optical linearity and nonlinearity of novel push-pull conjugated organic systems for photonic applications

Tunable third‐order NLO properties of acene derivatives with molecular structural modification

“…Compared with the molecule PBI5, the $$$ {\gamma}_{\parallel } $$$ of molecules PBI5‐p n ( n = 1, 2, 3, 4, and 5) connected by different number of CC increases by 4.4, 5.6, 7.3, 10.3 and 14.9 times, respectively, indicating that the addition of the π‐linker can improve the third‐order nonlinear absorption coefficient of these molecules obviously. In order to better compare the NLO properties with those of similar materials, the second static hyperpolarizability and the calculation methods of NLO materials reported in recent years are summarized and listed in Table 7 [69–74]. It can be found that the value of the second static hyperpolarizability of these designed molecules PBI5‐p n ( n = 1, 2, 3, 4, and 5) is significantly better than them, indicating that the molecular design idea in this study can provide an effective design idea for the development of NLO materials.…”

“…At this time, the value of the component γ xxxx is the largest, followed by γ yyyy , and the value of the two of them is significantly greater than γ zzzz . A comparison of the iso- In order to better compare the NLO properties with those of similar materials, the second static hyperpolarizability and the calculation methods of NLO materials reported in recent years are summarized and listed in Table 7 [69][70][71][72][73][74]. It can be found that the value of the second static hyperpolarizability of these designed molecules PBI5-pn (n = 1, 2, 3, 4, and 5) is significantly better than them, indicating that the molecular design idea in this study can provide an effective design idea for the development of NLO materials.…”