Orange Fluorescent Ru(III) Complexes Based on 4'-Aryl Substituted 2,2':6',2″-Terpyridine for OLEDs Application.

A series of ruthenium (III) complexes of the formulae [Ru(4-Mephtpy)2]Cl3(1) [Ru(L 1 )], [Ru(3,4,5-tmphtpy)2]Cl3(2) [Ru(L 2 )], and [Ru(4-thptpy)2]Cl3(3) [Ru(L 3 )], (where L = terpy = 2.2':6'2″ terpyridine ligands) are synthesized. The complexes were characterized by elemental analyses, spectroscopic and electrochemical data. The density functional theory (DFT) outlines the geometric optimisation and electronic charge transition of these complexes. Photophysical studies describe that the luminescence of Ru(III) complexes is due to electronic transition between the energy levels of singly unoccupied molecular orbitals (SUMO) and singly occupied molecular orbitals (SOMO). It also exhibits the potential charge transfer to π-π* and n-π* states due to MLCT and ILCT processes of the complexes. The observed bands centered at 591 and 620 nm demonstrate that these emissions originated from the transition of SUMO to SOMO energy levels, that is, from the radiative decay from the doublet exciton. Due to the heavy metal effect of Ru(III) ions the photophysical behaviour depends on the MLCT process. In conclusion, that the all three Ru(L 1 -L 3 ) complexes are fallen orange emission.