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First examples of luminescent zinc(II)-bisquinoxalinato complexes: synthesis, spectroscopic and theoretical studies

Hallett, Andrew Jon and Pope, Simon J.A. ORCID: https://orcid.org/0000-0001-9110-9711 2012. First examples of luminescent zinc(II)-bisquinoxalinato complexes: synthesis, spectroscopic and theoretical studies. Inorganica Chimica Acta 387 , pp. 145-150. 10.1016/j.ica.2012.01.008

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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.

Item Type: Article
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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