Abstract

Six iridium complexes were designed and studied using the DFT approach, (ppy) 2 Ir(pic) (1), (f 4 ppy) 2 Ir(pic) (2), (ppy) 2 Ir(tmd) (3), (f 4 ppy) 2 Ir(tmd) (4), (ppy) 2 Ir(tpip) (5) and (f 4 ppy) 2 Ir(tpip) (6).