Abstract
Two Iridium(III) complexes [Ir(ppy)2((mqmaq)]+ (1) and [Ir(bhq)2((mqmaq)]+ (2) {ppy = 2-phenylpyridine, bhq = benzo[h]quinoline, mqmaq = 2-methyl-3-{(E)-[(quinolin-2-yl)methylidene]amino}quinazolin-4(3H)-one} have been designed, synthesized and structurally characterized. Complex 2 has been structurally characterized by single-crystal X-ray structure determination. The experimentally obtained results of photophysical properties of complexes 1 and 2 well agree with the theoretically calculated results acquired by density functional theory (DFT) studies. The HOMO of complexes 1 and 2 are delimited on the iridium and cyclometalated aromatic ligands, while LUMO, is localized on quinoline-based mqmaq ligand whereas LUMO + 1, and LUMO + 2 are primarily restricted on cyclometalated ligands. The interaction of complexes with calf thymus DNA (CT-DNA) was investigated by absorption titration and emission titration experiments. Furthermore, the cytotoxicity and cellular localization properties of these complexes towards HeLa cells have been investigated.
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