1-(芘-1-基)-3-(噻吩-3-基)丙烯酮的合成、理论计算及三阶非线性光学性质

Synthesis,Theoretical Investigation and Third-order Nonlinear Optical Properties of 1-(Pyren-1-yl)-3-(thiophen-3-yl)acrylic Ketone

合成一种非线性光学(NLO)有机材料查尔酮:1-(芘-1-基)-3-(噻吩-3-基)丙烯酮,通过1 H NMR、IR、HR-MS表征了其结构。采用4f相位相干成像技术测定了它的三阶NLO性质,相关参数为:脉宽4ns,激光波长为450nm,非线性吸收系数(β)=7.3×10-10 m/W,非线性折射率(n2)=-3.6×10-17 m2/W,三阶非线性极化率(χ(3))=4.12×10-11 esu;并测定了紫外光谱、荧光光谱和DSC曲线。采用密度泛函方法计算了它的轨道能量和极化率,结果表明电子转移可在分子内部进行,显示出良好的NLO活性。

A new nonlinear optical(NLO)organic material,1-(pyren-1-yl)-3-(thiophen-3-yl)acrylic ketone(PTAK),was synthesized and characterized by 1 H NMR,IR,and HR-MS.Its third-order nonlinear optical properties were measured by 4 fphase-coherent imaging system with a pulse width of 4 ns and a laser wavelength of 450 nm.The results are as follows:the nonlinear absorption coefficient(β)=7.3×10-10 m/W,the nonlinear refractive index(n2)=-3.6×10-17 m2/W,and the third-order nonlinear polarizability(χ(3))=4.12×10-11 esu.The compound was also examined by UV,fluorescence,and DSC.Moreover,its orbital energy and polarization were calculated by density functional theory and the results indicate that the intramolecular electron transfer can occur so as to demonstrate good NLO activity.