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)=7.3×10-1...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。展开更多
A novel Cu (Ⅱ) complex of 1-phenyl-3-methyl-4-acyl-5-pyrazolone was synthesized and crystallogra- phically characterized. The single-crystal structure of the complex reveals that the crystal belongs triclinic, space ...A novel Cu (Ⅱ) complex of 1-phenyl-3-methyl-4-acyl-5-pyrazolone was synthesized and crystallogra- phically characterized. The single-crystal structure of the complex reveals that the crystal belongs triclinic, space group P1 with cell parameters a=0.938 7(4) nm, b=1.124 4(5) nm, c=1.222 3(5) nm, α=99.538(7)°, β=104.049(8)°, γ=113.806(6)°, and Z=2, V=1.093 3(8) nm3. Cu(Ⅱ) ion is coordinated by two 1-phenyl-3-methyl-4-acyl-5-pyrazolone ligands, and one methanol molecule giving a coordination number of five, the coordination polyhedron around Cu(Ⅱ) ion can be described as a square pyramid. Two complex units link to each other through the hydrogen-bonding interactions to form a dimer. Meanwhile, a staircase-like layer structure was built up by offset face-to-face π…π stacking interactions and weak interactions between the dimers.展开更多
文摘A novel Cu (Ⅱ) complex of 1-phenyl-3-methyl-4-acyl-5-pyrazolone was synthesized and crystallogra- phically characterized. The single-crystal structure of the complex reveals that the crystal belongs triclinic, space group P1 with cell parameters a=0.938 7(4) nm, b=1.124 4(5) nm, c=1.222 3(5) nm, α=99.538(7)°, β=104.049(8)°, γ=113.806(6)°, and Z=2, V=1.093 3(8) nm3. Cu(Ⅱ) ion is coordinated by two 1-phenyl-3-methyl-4-acyl-5-pyrazolone ligands, and one methanol molecule giving a coordination number of five, the coordination polyhedron around Cu(Ⅱ) ion can be described as a square pyramid. Two complex units link to each other through the hydrogen-bonding interactions to form a dimer. Meanwhile, a staircase-like layer structure was built up by offset face-to-face π…π stacking interactions and weak interactions between the dimers.
