Crystal Structure and Photophysical Property of 9-(4-(5-(6-Methylpyridin-2-yl)-3-phenyl-1H-1,2,4-triazol-1-yl)phenyl)-9H-carbazole

被引：0

作者：

胡志敏 ^{[1
,2
]}

余荣民 ^{[2
]}

卢灿忠 ^{[2
]}

机构：

[1] College of Science, North University of China

[2] State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences

来源：

Chinese Journal of Structural Chemistry | 2020年 / 39卷 / 10期

基金：

中国国家自然科学基金;

关键词：

D O I：

10.14102/j.cnki.0254-5861.2011-2924

中图分类号：

O641.4 [络合物化学（配位化学）]; TN383.1 [];

学科分类号：

070304 ; 0803 ; 081704 ;

摘要：

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 P2;with a = 16.0434（9）, b = 17.920（1）, c = 8.3453（5） ?, β = 94.142（5）°, V = 2393.0（2）, Z = 4, M;= 477.55, D;= 1.326 g/cm;, F（000） = 1000, μ = 0.080 mm;, 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-（1,3-diphenyl-1H-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 N;and quantum yield of ф = 0.18 at room temperature. The experimental and computational results show that the emission of compound 1 originates from the lowest singlet excited state（S;） with charge transfer character.

引用

页码：1871 / 1876

页数：6

共 2 条

[1] Purely Organic Thermally Activated Delayed Fluorescence Materials for Organic Light-Emitting Diodes
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[2] Copper‐Catalyzed Intramolecular Oxidative C?H Functionalization and C?N Formation of 2‐Aminobenzophenones: Unusual Pseudo‐1,2‐Shift of the Substituent on the Aryl Ring[J] . Pang‐Chi Huang,Kanniyappan Parthasarathy,Chien‐Hong Cheng.Chem. Eur. J. . 2012 (2)

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