Synthesis and optoelectronic properties of oxadiazole coordinated boron complexes

Abstract

Two boron complexes coordinated with N,O-ligands based on oxadiazole were synthesized, and their structures, thermal behaviors, optical and electron transport properties were investigated in detail. The results demonstrate that both of the boron complexes could be used as deep blue emitting materials and excellent electron transporting materials. The electron mobilities, measured by the time-of-flight (TOF) technique, are 2.09 × 10⁻⁴ and 7.27 × 10⁻⁶ cm² V⁻¹ s⁻¹. To understand their optoelectronic properties better, theoretical calculations of the electronic orbitals of the complexes were carried out. The energy levels and distribution of their lowest unoccupied molecular orbital (LUMO) and highest occupied molecular orbital (HOMO) were investigated. The results illustrate that the LUMO of the boron complexes are favorable for electron transportation.