Synthesis and optoelectronic properties of oxadiazole coordinated boron complexes
- 4 March 2016
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in CrystEngComm
- Vol. 18 (23), 4382-4387
- https://doi.org/10.1039/c6ce00066e
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.Keywords
Funding Information
- National Natural Science Foundation of China (51502285, 21371165, 51372242, 51402286, 91122030 a)
This publication has 47 references indexed in Scilit:
- First examples of luminescent zinc(II)-bisquinoxalinato complexes: Synthesis, spectroscopic and theoretical studiesInorganica Chimica Acta, 2012
- Highly Efficient Green and Blue‐Green Phosphorescent OLEDs Based on Iridium Complexes with the Tetraphenylimidodiphosphinate LigandAdvanced Materials, 2011
- A new ambipolar blue emitter for NTSC standard blue organic light-emitting deviceOrganic Electronics, 2009
- Chemical failure modes of AlQ3-based OLEDs: AlQ3 hydrolysisPhysical Chemistry Chemical Physics, 2006
- Transient analysis of organic electrophosphorescence. II. Transient analysis of triplet-triplet annihilationPhysical Review B, 2000
- An efficient implementation of time-dependent density-functional theory for the calculation of excitation energies of large moleculesThe Journal of Chemical Physics, 1998
- Thermal and Morphological Effects on the Hydrolytic Stability of Aluminum Tris(8-hydroxyquinoline) (Alq3)Chemistry of Materials, 1998
- Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local density approximation ionization thresholdThe Journal of Chemical Physics, 1998
- A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to isotropic and anisotropic dielectricsThe Journal of Chemical Physics, 1997
- Inhomogeneous Electron GasPhysical Review B, 1964