Structure, charge-transfer and luminescent properties of bis(2-(2-hydroxyphenyl)benzothiazolate)beryllium

Structure, charge-transfer and luminescent properties of bis(2-(2-hydroxyphenyl)benzothiazolate)beryllium
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双(2-(2-羟基苯基)苯并噻唑)铍的结构、电荷转移和发光性能

DOI:
10.1016/j.orgel.2008.05.018
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发表时间:
2008-10
影响因子:
3.2
通讯作者:
许并社
许并社
中科院分区:
工程技术3区
文献类型:
--
作者:
许并社

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合成了一种芳香族N,O螯合配体Be(II)配合物Be(BTZ)2(BTZ=2-(2-羟基苯基)苯并噻唑),并对其进行了X射线晶体学表征。研究了其电荷转移和发光性质。结果表明:Be(BTZ)2晶体属单斜晶系,空间群为C2/c。Be(BTZ)2的电子传输速率大于空穴传输速率,可作为电子传输材料的候选材料。最高占据分子轨道能级(EHOMO)和最低未占据分子轨道能级(ELUMO)分别为−5.79eV和−2.98eV。Be(BTZ)_2在456 nm处有很强的蓝色光致发光(PL),其电致发光(EL)峰位于460 nm处,CIE坐标为X=0.1525,Y=0.1803。
A luminescent Be(II) complex of aromatic N, O-chelate ligand, namely Be(BTZ)2(BTZ=2-(2-hydroxyphenyl)benzothiazolate), has been synthesized and characterized by X-ray crystallography. Its charge-transfer and luminescent properties were studied. The results indicated that the single crystal of Be(BTZ)2is monoclinic, space group C2/c. With larger the electron-transfer rate than hole-transfer rate, Be(BTZ)2may serve as candidate for electron-transport material. The highest occupied molecular orbital energy level (EHOMO) and the lowest unoccupied molecular orbital energy level (ELUMO) are −5.79eV and −2.98eV, respectively. Be(BTZ)2displays strong photoluminescence (PL) in the blue region at 456nm, and the electroluminescent (EL) peak wavelength is located at 460nm, CIE coordinates are X=0.1525, Y=0.1803.
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