Theoretical investigation of photophysical properties for a series of iridium(iii) complexes with different substituted 2,5-diphenyl-1,3,4-oxadiazole

Abstract

A quantum chemical investigation from structural and electronic properties and some charge-transport parameter viewpoints was performed on several homoleptic iridium complexes [(C^∧N)₂Ir(pic)] with the 2,5-diaryl-1,3,4-oxadia-zoles moiety in C^∧N ligands, where pic represents the picolinate ancillary ligand.