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机构地区:[1]College of Chemistry,Fuzhou University [2]State Key Laboratory of Structural Chemistry,Fujian Institute of Research on the Structure of Matter,Chinese Academy of Sciences
出 处:《Chinese Journal of Structural Chemistry》2017年第11期1918-1923,共6页结构化学(英文)
基 金:supported by the National Natural Science Foundation of China(21373221,21521061,51672271,21671190,21403236);the Natural Science Foundation of Fujian Province(2006L2005)
摘 要:A purely organic compound, 4-(9-oxoacridin-10(9 H)-yl) benzonitrile(1), was synthesized and characterized by NMR, UV-Vis, high resolution mass spectrum, and X-ray single-crystal structure analysis. It crystallizes in monoclinic system, space group P21/c with a = 9.7420(2), b = 10.4967(2), c = 14.3896(3)A°, β = 104.755(2)°, V = 1422.94(5), Z = 4, Mr = 296.32, Dc = 1.383 g/cm^3, F(000) = 616, μ = 0.690 mm^–1, GOOF = 1.035, the final R = 0.0370 and w R = 0.1010 for 2649 observed reflections with I 〉 2σ(I). Compound 1 in tolune exhibits deep blue luminescence with maximum emission peaks at 403 and 419 nm, lifetimes of 3.8 ns and quantum yields of ф = 0.46 at room temperature. The experimental and computational results show that the emission of the compound originates from the acridinone moiety and has π-π* character.A purely organic compound, 4-(9-oxoacridin-10(9 H)-yl) benzonitrile(1), was synthesized and characterized by NMR, UV-Vis, high resolution mass spectrum, and X-ray single-crystal structure analysis. It crystallizes in monoclinic system, space group P21/c with a = 9.7420(2), b = 10.4967(2), c = 14.3896(3)A°, β = 104.755(2)°, V = 1422.94(5), Z = 4, Mr = 296.32, Dc = 1.383 g/cm^3, F(000) = 616, μ = 0.690 mm^–1, GOOF = 1.035, the final R = 0.0370 and w R = 0.1010 for 2649 observed reflections with I 〉 2σ(I). Compound 1 in tolune exhibits deep blue luminescence with maximum emission peaks at 403 and 419 nm, lifetimes of 3.8 ns and quantum yields of ф = 0.46 at room temperature. The experimental and computational results show that the emission of the compound originates from the acridinone moiety and has π-π* character.
关 键 词:acridinone compound crystal structure luminescence DFT calculation
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