芳香查尔酮衍生物的合成、理论计算及三阶非线性光学性质

合成了2种新的具有潜在应用价值的非线性光学(NLO)有机材料芳香查尔酮衍生物1-(呋喃-2-基)-3-(4-甲氧基苯基)丙烯酮(1)和1-(噻吩-2-基)-3-(4-甲氧基苯基)丙烯酮(2),并对其进行了NMR、IR和HR-MS结构表征。 采用4f相位相干成像技术测定了化合物1和2的三阶NLO性质并确定了相关参数:脉冲宽度4 nm,激光波长440 nm,化合物1:非线性吸收系数β=5.5×10^-10 m/W,非线性折射系数n₂=-2.1×10^-17 m²/W,三阶非线性极化率χ⁽³⁾=1.58×10^-11 esu;化合物2:β=-2.4×10^-10 m/W,n₂=0.3×10^-17 m²/W,χ⁽³⁾=0.50×10^-11 esu;并测定了紫外光谱和DSC曲线。 采用密度泛函方法计算了化合物1和2的轨道能量和极化率,结果表明电子转移能在分子内部进行,说明比较易于极化,展示了良好的非线性光学性质。

Synthesis,Theoretical Investigation and Third-order Nonlinear Optical Properties of Novel Aromatic Chalcone Derivatives

Two novel of nonlinear optical(NLO) organic material, chalcone derivatives(1-(furan-2-yl)-3-(4-methoxyphenyl) acrylketone(1) and 1-(thiophen-2-yl)-3-(4-methoxyphenyl) acrylketone(2)), were synthesized and characterized by NMR, IR and HR-MS. The third-order nonlinear optical properties were measured by the 4f phase-coherent imaging system and the resulting relevant parameters were given as following with 4 nm pulse width and 440 nm laser wavelength:for compound 1:nonlinear absorption coefficient β=5.5×10^-10 m/W, nonlinear refractive coefficient n₂=-2.1×10^-17 m²/W, third-order nonlinear polarization χ⁽³⁾=1.58×10^-11 esu; for compound 2:β=-2.4×10^-10 m/W, n₂=0.3×10^-17 m²/W, χ⁽³⁾=0.50×10^-11 esu. The corresponding UV absorption and DSC curves were also investigated. Moreover, their orbital energy and polarization calculated by density functional theory demonstrate that electron transfer can be easily conducted intramolecularly caused by the easy polarizability of the targeted products. These materials show good potential application as the NLO materials.