Bis-cyclometalated iridium(iii) complexes with terpyridine analogues: syntheses, structures, spectroscopy and computational studies.

ABSTRACT: Two ligands based upon a 2,6-disubstituted pyridine bridge introduce bis-quinoxalinyl units in a fashion that yields analogues to the archetypal terdentate ligand, 2,2':6',2''-terpyridine. The ligands were synthesised from the key intermediate 2,6-bis(bromoacetyl)pyridine: a new, high-yielding route is described for this reagent. Two ligand variants (differentiated by H/Me substituents on the quinoxaline ring) were explored as coordinating moieties for iridium(iii) in the development of luminescent complexes. Computational studies (DFT approaches employing B3LYP, B3LYP/LANL2DZ, and M062X/LANL2DZ levels) were used to investigate the geometric and coordination mode preferences of the new ligands and two possibilities arose from theoretical investigations: [Ir(N^N^N)₂]³⁺

SUBMITTER: Otaif HY 

PROVIDER: S-EPMC9044569 | biostudies-literature | 2021 Dec

REPOSITORIES: biostudies-literature