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Title of article :
First examples of luminescent zinc(II)-bisquinoxalinato complexes: Synthesis, spectroscopic and theoretical studies
Author/Authors :
Hallett، نويسنده , , Andrew J. and Pope، نويسنده , , Simon J.A.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2012
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Abstract :
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.
Keywords :
5-Hydroxyquinoxaline , Zn(II) complexes , OLEDs , photophysical properties , DFT studies
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