N-甲基-2-{N-乙基-6-[2-(8-甲氧基喹啉基)乙烯基]咔唑基}富勒烯吡咯烷的合成、电化学性质与双光子吸收特性

Synthesis,Electrochemical and Two-Photon Absorption Properties of N-Methyl-2-{N-ethyl-6-[2-(8-methoxylquinol-2-yl)vinyl]carbazol-3-yl}-fulleropyrrolidine

设计合成了N-甲基-2-{N-乙基-6-[2-(8-甲氧基喹啉基)乙烯基]咔唑基}富勒烯吡咯烷(6).产物通过FT-IR,UV,1HNMR,13C NMR,MS等对其结构进行表征;用循环伏安法测定了化合物6的电化学性质.结果表明,与参比化合物C60相比还原电位发生负移;通过Z-扫描方法研究了化合物6的双光子吸收特性,测得双光子吸收截面积可达62.58GM.运用Gaussian 03量子化学程序包,采用B3LYP密度泛函(DFT)的方法,在3-21G(d)水平上对分子的几何构型进行了优化,预测了化合物6的电化学性质,与实验结果基本一致.

N-Methyl-2- {N-ethyl-6- [2-（8-methoxylquinol-2-yl）vinyl]carbazol-3-yl} fulleropyrrolidine was synthesized and characterized by FT-IR, UV-Vis, ^1H NMR, ^13C NMR and MS techniques. The electrochemical property has been studied by cyclic voltammetry, showing that the reduction potentials shifted to more negative values than that of C60. The two-photon absorption （TPA） property has been studied by a Z-scan method. TPA cross-section value obtained for compound 6 is 62.58 GM. The geometry structure was optimized by the density functional theory calculations with the B3LYP functional on the level at 3-21G（d） basis set, and the electrochemical property predicted was agreeable to the observed value.