| (2-(4-甲基-2-羟基苯基)苯并噻唑)锌的分子结构和光谱学性能 |
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| 引用本文： | Xu HX,Chen LQ,Wang H,Hao YY,Xu BS. (2-(4-甲基-2-羟基苯基)苯并噻唑)锌的分子结构和光谱学性能[J]. 光谱学与光谱分析, 2011, 31(2): 504-507. DOI: 10.3964/j.issn.1000-0593(2011)02-0504-04 |
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| 作者姓名： | Xu HX Chen LQ Wang H Hao YY Xu BS |
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| 作者单位： | 1. 新材料界面科学与工程教育部重点实验室,山西,太原,030024;太原理工大学材料科学与工程学院,山西,太原,030024
2. 新材料界面科学与工程教育部重点实验室,山西,太原,030024 |
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| 基金项目： | 山西省自然科学基金项目(2008011008,2010021023-2); 山西省研究生创新项目(20081007)资助 |
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| 摘 要： | 合成并研究了(2-(4-甲基-2-羟基苯基)苯并噻唑)锌(Zn(4-MeBTZ)2)的分子结构、热稳定性和光谱学特性.Zn(4-MeBTZ)2的单晶数据如下:三斜晶系,P-1空间群,晶胞参数为α=8.989 9(11)(A)b=12.161 7(15)(A),c=12.8719(16)(A),α=63.492(2)°,...
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| 关 键 词： | 分子结构 苯并噻唑 光学性能 |
Molecular structure and luminescent property of bis(2-(4-methyl-2-hydroxyphenyl)benzothiazolate) zinc |
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| Xu Hui-Xia,Chen Liu-Qing,Wang Hua,Hao Yu-Ying,Xu Bing-She. Molecular structure and luminescent property of bis(2-(4-methyl-2-hydroxyphenyl)benzothiazolate) zinc[J]. Spectroscopy and Spectral Analysis, 2011, 31(2): 504-507. DOI: 10.3964/j.issn.1000-0593(2011)02-0504-04 |
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| Authors: | Xu Hui-Xia Chen Liu-Qing Wang Hua Hao Yu-Ying Xu Bing-She |
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| Affiliation: | XU Hui-xia1,2,CHEN Liu-qing1,WANG Hua1,HAO Yu-ying1,XU Bing-she1,2 1.Key Laboratory of Interface Science and Engineering in Advanced Materials,Ministry of Education,Taiyuan 030024,China 2.College of Materials Science and Engineering,Taiyuan University of Technology,China |
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| Abstract: | Bis(2-(4-methyl-2-hydroxyphenyl)benzothiazolate) zinc(Zn(4-MeBTZ)2) was synthesized. Its molecular structure was confirmed by single-crystal x-ray diffraction. Single-crystal data are as follows: space group triclinic, P-1; a = 8.989 9(11) angstroms, b =12.161 7 (15) angstroms, c = 12.871 9 (16) angstroms, alpha = 63.492 (2) degrees, beta = 84.825 (2) degrees, gamma =71.187 (2) degrees. The steric hindrance provided by introduction methyl groups on phenoxide ring prohibited effectively the formation of pentacoordinate complex. There is distinct intermolecular pi-pi interaction between molecules. The dihedral angle between the phenol and benzothiazolate rings of Zn(4-MeBTZ)2 is 2.166 degrees. The HOMO energy, LUMO energy and optical gap are -5.84, -3.46 and 2.37 eV, respectively. The maximum wavelength peak of PL spectra located at 470 nm. The double-layer devices were employed using Zn(4-MeBTZ)2 as emitter and NPB as hole-transport material. The EL spectra split into two peaks located at 501 and 544 nm respectively. The broadened EL spectra were demonstrated to be originated from the exciplexes formed at the interface between NPB and Zn(4-MeBTZ)2. |
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| Keywords: | Molecular structure Benzothiazolate Luminescent property |
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