First examples of luminescent zinc(II)-bisquinoxalinato complexes: Synthesis, spectroscopic and theoretical studies
First examples of luminescent zinc(II)-bisquinoxalinato complexes: Synthesis, spectroscopic and theoretical studies
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DOI：
10.1016/j.ica.2012.01.008
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发表时间：
2012-05
影响因子：
2.8
通讯作者：
A. Hallett;Simon J. A. Pope
中科院分区：
文献类型：
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作者：
A. Hallett;Simon J. A. Pope
以对位取代的2，3-二苯基-5-羟基喹喔啉配体LHn为原料，高产率地合成了四种新型锌配合物[Zn（Ln）2]。密度泛函理论计算进行了探测对位取代的变化对配体的影响。计算表明，配体中心的字符似乎占主导地位的HOMO和LUMO。实验电化学和光谱表征表明，吸收和发射波长的微妙变化是由于配体占主导地位的过渡，受电子性质的对位取代的苯基单元在协调Ln，在溶液和固体状态。
Four novel homoleptic zinc(II) complexes were prepared in high yield from para-substituted 2,3-diphenyl-5-hydroxyquinoxaline ligands, LHn, giving [Zn(Ln)2]. Density functional theoretical calculations were performed to probe the influence of the variation in para-substitution on the ligands. The calculations suggest that ligand-centred character appears to dominate the HOMO and LUMOs. Experimental electrochemical and spectroscopic characterisation showed that the subtle variations in absorption and emission wavelengths are due to ligand-dominated transitions that are influenced by electronic nature of the para-substituted phenyl units in coordinated Ln, in both solution and the solid states.