Synthesis,Crystal Structure and Photophysical Property of 4-(9-Oxoacridin-10(9H)-yl)Benzonitrile  

作　　者：尚现醒 赵湾湾 贾吉慧 余荣民 卢灿忠 

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 

分 类 号：O626[理学—有机化学]