论文部分内容阅读
X-ray single-crystal structure analysis,UV-Vis,and photoluminescent properties of organic compound,9-(4-(5-(6-methylpyridin-2-yl)-3-phenyl-1H-1,2,4-triazol-1-yl)phenyl)-9H-carbazole (compound 1) were studied.Compound 1 crystallizes in monoclinic system,space group P21/c with a =16.0434(9),b =17.920(1),c =8.3453(5) (A),β =94.142(5)°,V =2393.0(2),Z =4,Mr=477.55,Dc =1.326 g/cm3,F(000) =1000,μ =0.080 mm-1,GOOF =1.025,the final R =0.0505 and wR =0.1226 for 4921 observed reflections with I ＞ 2σ(I).Compound 1 is a donor-acceptor type molecule,in which the carbazolyl group (cz) acts as an electron donor,and the group of 2-(l,3-diphenyl-lH-1,2,4-triazol-5-yl)-6-methylpyridine (MePyTz) as an electron acceptor.In methylene chloride,compound 1 exhibits deep blue luminescence with maximum at 440 nm,lifetime of 4.2 ns under N2 and quantum yield of φ =0.18 at room temperature.The experimental and computational results show that the emission of compound 1 originates from the lowest singlet excited state (S1) with charge transfer character.