摘要
A purely organic compound 2-（9 H-carbazol-9-yl）-3-（2-（2,4,5-tri-（9 H-carbazol-9-yl）-3,6-dicyanophenoxy）phenoxy）dibenzo[b,e][1,4]dioxine-1,4-dicarbonitrile, C76 H40 N8 O4, was synthesized and characterized by NMR, UV-Vis, photoluminescenceand X-ray single-crystal structure analysis. The compound crystallizes in monoclinic system, space group P21/n with a = 11.6537（3）, b = 34.9738（8）, c = 15.5053（3） ？, β =101.992（2）°, V = 6181.6（2）？3, Z = 4, Mr= 1129.18 g/mol, Dc =1.396 g/cm3, F（000） =2672, μ = 2.239 mm–1, GOOF = 1.019, the final R = 0.0577 and wR= 0.1559 for 11925 observed reflections with I 〉2σ（I）. The UV-vis absorption and fluorescence of the compound were discussed. The compound exhibitsyellow-green luminescence with maximum emission peak at 538 nm, and quantum yields of ф = 0.25 and 0.48 in air-equilibrated and degassed toluene at room temperature. Transient decay spectral studies show that compound 1 displays two component decay fashions with a short decay lifetime of 23 ns for the prompt fluoresce anda long decay lifetime of 3.8ms for thermally activated delayed fluorescence. In air-equilibrated toluene, only a short decay lifetime of 17 ns was observed.The experimental and computational results show thatthe emission of the compound originates from the CT excited states.
A purely organic compound 2-（9 H-carbazol-9-yl）-3-（2-（2,4,5-tri-（9 H-carbazol-9-yl）-3,6-dicyanophenoxy）phenoxy）dibenzo[b,e][1,4]dioxine-1,4-dicarbonitrile, C76 H40 N8 O4, was synthesized and characterized by NMR, UV-Vis, photoluminescenceand X-ray single-crystal structure analysis. The compound crystallizes in monoclinic system, space group P21/n with a = 11.6537（3）, b = 34.9738（8）, c = 15.5053（3） ？, β =101.992（2）°, V = 6181.6（2）？3, Z = 4, Mr= 1129.18 g/mol, Dc =1.396 g/cm3, F（000） =2672, μ = 2.239 mm–1, GOOF = 1.019, the final R = 0.0577 and wR= 0.1559 for 11925 observed reflections with I 〉2σ（I）. The UV-vis absorption and fluorescence of the compound were discussed. The compound exhibitsyellow-green luminescence with maximum emission peak at 538 nm, and quantum yields of ф = 0.25 and 0.48 in air-equilibrated and degassed toluene at room temperature. Transient decay spectral studies show that compound 1 displays two component decay fashions with a short decay lifetime of 23 ns for the prompt fluoresce anda long decay lifetime of 3.8ms for thermally activated delayed fluorescence. In air-equilibrated toluene, only a short decay lifetime of 17 ns was observed.The experimental and computational results show thatthe emission of the compound originates from the CT excited states.
基金
supported by the Strategic Priority Research Program of the Chinese Academy of Sciences(XDB20000000)
the National Natural Science Foundation of China(21521061,51672271,21671190)
