Hallett, Andrew Jon and Pope, Simon J.A. ![]() |
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.
Item Type: | Article |
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Date Type: | Publication |
Status: | Published |
Schools: | Advanced Research Computing @ Cardiff (ARCCA) Chemistry |
Subjects: | Q Science > QD Chemistry |
Uncontrolled Keywords: | 5-Hydroxyquinoxaline; Zn(II) complexes; Photophysical properties; DFT studies; OLEDs |
Publisher: | Elsevier |
ISSN: | 0020-1693 |
Last Modified: | 20 Oct 2022 07:55 |
URI: | https://orca.cardiff.ac.uk/id/eprint/26911 |
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