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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).
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 Knoevenage reactions, which was characterized by FT-IR, NMR and 13 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 , V = 1693.4 (4) ~ 3, Z = 4, Dc = 1.249 g / cm ~ 3, Mr = 318.36, μ = 0.082 mm-1, F GOOF = 1.091.Rint = 0.0338, R (I> 2σ (I)) = 0.0631, wR (I> 2σI) = 0.1861, R (all data) = 0.1027 andwR (all data) = 0.2105. were three types of weak intermolecular interactions (C (8) -H (8) ··· N (2), C (14) -H (14) ··· O ) · 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 revealed the exis tence 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 of organic light emitting diodes (OLEDs).