两种新型芴类衍生物的三光子吸收特性研究

Three-photon absorption characteristics in two novel fluorine-based derivatives

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。

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 -76 cm6 · s2/photon2 respectively.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.