A novel carbazole derivative 2-cyano-3-（9-ethyl-9H-carbazol-3-yl）-acrylic acid ethyl ester（L） was designed and synthesized through Vilsmeier and Knoevenagelreactions, which was characterized by FT-IR, ~1H NMR and1...A novel carbazole derivative 2-cyano-3-（9-ethyl-9H-carbazol-3-yl）-acrylic acid ethyl ester（L） was designed and synthesized through Vilsmeier and Knoevenagelreactions, which was characterized by FT-IR, ~1H NMR and13 C NMR spectra. The crystal of L crystallizes in the monoclinic system, space group P21/c with a = 10.8298（15）, b = 13.4660（19）, c = 15.4358（16） ？, β = 131.214（6）o, V = 1693.4（4） ？~3, Z = 4, Dc = 1.249 g/cm^3, Mr = 318.36, μ = 0.082 mm-1, F（000） = 672, completeness to theta was 99.9% and GOOF = 1.091.Rint = 0.0338, R（I 〉2σ（I）） = 0.0631, w R（I 〉 2σ（I）） = 0.1861, R（all data） = 0.1027 andw R（all data） = 0.2105. There were three types of weak intermolecular interactions（C（8）–H（8）···N（2）, C（14）–H（14）···O（2） and C（20B）– H（20B）···π）among the adjacent molecules to construct a three-dimensional single crystal. The UV-Vis spectra, fluorescence emission and time-dependent density functional theory（TD-DFT） calculation of L were studied and the results revealedthe existence of intramolecular charge transfer（ICT） process of L molecule. The optical properties indicated that it can be used as a potential candidate in the application oforganic light emitting diodes（OLEDs）.展开更多
A novel bis(8-oxide quinoline)zironium phthalocyanine [(OQ)2 Zr Pc] with two 8-oxide quinolone anions at the same axial positions has been successfully synthesized and its chemical structure has been assigned by the 1...A novel bis(8-oxide quinoline)zironium phthalocyanine [(OQ)2 Zr Pc] with two 8-oxide quinolone anions at the same axial positions has been successfully synthesized and its chemical structure has been assigned by the 1 H NMR, MS and two-dimensional correlation infrared(2D-IR) spectroscopy as well as by single-crystal X-ray structural analysis. It possessed a moderately effective nonlinear absorption coefficient βeff of 6.69×10-14cm/GW at 532 nm in DMF solution, implying it is a promising candidate for nonlinear optical materials.展开更多
Structurally well-defined arenes with higher numbers of linearly-fused six-member rings(n≥10)are important and highly desirable not only because of their experimental challenges but also due to their fundamental inte...Structurally well-defined arenes with higher numbers of linearly-fused six-member rings(n≥10)are important and highly desirable not only because of their experimental challenges but also due to their fundamental interests and the curiosity of their structure-property relationships.In this research,we successfully synthesized a novel large N-heteroarene(N20)with 20 linearly-fused six-membered rings,which is the longest N-heteroarene(4.7 nm)confirmed by single-crystal X-ray diffraction(SCXRD)analysis so far.The as-prepared arene displays a wave-like framework rather than a rigid plane.Moreover,N20 shows high molar absorptivity of 364,000 M^(−1) cm^(−1) with its fluorescence extended to the near-infrared region.展开更多
基金Supported by the Natural Science Foundation of Anhui Province(1508085SMB208)the Educational Commission of Anhui Province(KJ2016A788)
文摘A novel carbazole derivative 2-cyano-3-（9-ethyl-9H-carbazol-3-yl）-acrylic acid ethyl ester（L） was designed and synthesized through Vilsmeier and Knoevenagelreactions, which was characterized by FT-IR, ~1H NMR and13 C NMR spectra. The crystal of L crystallizes in the monoclinic system, space group P21/c with a = 10.8298（15）, b = 13.4660（19）, c = 15.4358（16） ？, β = 131.214（6）o, V = 1693.4（4） ？~3, Z = 4, Dc = 1.249 g/cm^3, Mr = 318.36, μ = 0.082 mm-1, F（000） = 672, completeness to theta was 99.9% and GOOF = 1.091.Rint = 0.0338, R（I 〉2σ（I）） = 0.0631, w R（I 〉 2σ（I）） = 0.1861, R（all data） = 0.1027 andw R（all data） = 0.2105. There were three types of weak intermolecular interactions（C（8）–H（8）···N（2）, C（14）–H（14）···O（2） and C（20B）– H（20B）···π）among the adjacent molecules to construct a three-dimensional single crystal. The UV-Vis spectra, fluorescence emission and time-dependent density functional theory（TD-DFT） calculation of L were studied and the results revealedthe existence of intramolecular charge transfer（ICT） process of L molecule. The optical properties indicated that it can be used as a potential candidate in the application oforganic light emitting diodes（OLEDs）.
基金supported by the Natural Science Foundation of Fujian Province(2018J01431 and 2018J01690)Research Foundation of Education Bureau of Fujian Province(JT180813)
文摘A novel bis(8-oxide quinoline)zironium phthalocyanine [(OQ)2 Zr Pc] with two 8-oxide quinolone anions at the same axial positions has been successfully synthesized and its chemical structure has been assigned by the 1 H NMR, MS and two-dimensional correlation infrared(2D-IR) spectroscopy as well as by single-crystal X-ray structural analysis. It possessed a moderately effective nonlinear absorption coefficient βeff of 6.69×10-14cm/GW at 532 nm in DMF solution, implying it is a promising candidate for nonlinear optical materials.
基金The work at NAIST was supported by Grant-in-Aid for Scientific Research No.JP20H02711(NA).
文摘Structurally well-defined arenes with higher numbers of linearly-fused six-member rings(n≥10)are important and highly desirable not only because of their experimental challenges but also due to their fundamental interests and the curiosity of their structure-property relationships.In this research,we successfully synthesized a novel large N-heteroarene(N20)with 20 linearly-fused six-membered rings,which is the longest N-heteroarene(4.7 nm)confirmed by single-crystal X-ray diffraction(SCXRD)analysis so far.The as-prepared arene displays a wave-like framework rather than a rigid plane.Moreover,N20 shows high molar absorptivity of 364,000 M^(−1) cm^(−1) with its fluorescence extended to the near-infrared region.
