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.
出处
《功能材料》
EI
CAS
CSCD
北大核心
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)
关键词
非线性光学材料
三氰基呋喃
热性能
DFT
nonlinear optical materials
tricyanofuran
thermal properties
DFT
