Three-photon absorption characteristics in two novel fluorine-based derivatives
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摘要: 为了研究分子结构对三光子吸收的影响，合成了两种新型芴类衍生物，分别是2，7-二（2-4（甲氧基苯基）乙炔基）-9，9-二辛基-9H-芴（A）和2-溴-7-（2-（4-甲氧基苯基）乙炔基）-9，9-二辛基-9H-芴（B），采用1064nm的Nd∶YAG激光器测试其三光子吸收截面的方法，得到了它们的三光子吸收截面分别高达（6.03±0.6）×10-76cm6·s2/photon2和（4.25±0.4）×10-76cm6·s2/photon2的结果，在高斯03软件下，用密度泛函方法对这两个分子进行了结构优化，并用含时密度泛函理论计算了它们的激发态能量和电子轨道。结果表明，分子内电荷转移方向对三光子吸收存在影响。Abstract: In order to study effect of molecular structure on three-photon absorption(3PA) characteristics, two novel fluorene-based derivatives: 2, 7-bis(2-(4-methoxyphenyl)ethynyl)-9,9-dioctyl-9H-fluorene(A) and 2-bromo-7-(2-(4-methoxyphenyl)ethynyl)-9,9-dioctyl-9H-fluorene(B) were synthesized. The 3PA cross-sections of both the compounds were tested by using a Q-switched Nd:YAG laser at 1064nm. The 3PA cross-sections were obtained, i.e., (6.03±0.6)×10-76 cm6·s2/photon2 and (4.25±0.4)×10-76cm6·s2/photon2respectively. The geometries in the ground states and electronic structures of both the compounds were investigated by density functional theory methods and time-dependent density functional theory methods of Gaussian 03, and the impact on the three-photon absorption characteristics was analyzed.
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