新型含三氰基呋喃受体的非线性光学材料合成及性能研究  

Synthesis and properties of novel NLO materials containing tricyanofuran acceptors

作　　者：唐翔[1] 唐先忠[1] 赵波[1] 王洋[1] 

机构地区：[1]电子科技大学电子薄膜与集成器件国家重点实验室,四川成都610054

出　　处：《功能材料》2010年第8期1340-1342,1346,共4页Journal of Functional Materials

基　　金：国家自然科学基金资助项目(60771044)

摘　　要：合成了2种含三氰基呋喃受体的新型非线性光学(NLO)生色团分子。利用元素分析、1H-NMR和FT-IR对这些分子的结构进行了表征。TGA测试结果表明这两种材料具有较好的热稳定性,其热分解温度(Td)最高达311℃。UV-Vis光谱表明材料具有较好的透光性。用DFT-B3LYP方法在6-31G基组下对分子的结构进行了优化并计算出其静态二阶极化率β值最高达5.9×10-28esu。Novel organic nonlinear optical （NLO） chromophores containing tricyanofuran（TCF） acceptors were synthesized. The molecular structure was characterized by element analysis,1H NMR and FTIR. hese materials exhibited excellent thermal stability with the decomposition temperature up to 311℃.The good transparency of materials was determined via UV-Vis spectra. DFT-B3LYP method was utilized to optimize the molecular Structure and the second-order polarizabilities （β） were calculated with the maximum value was 5.9×10-28esu.

关 键 词：非线性光学材料 三氰基呋喃 热性能 DFT 

分 类 号：O621[理学—有机化学] TN20[理学—化学]