Molecular structure, photoluminescent and electroluminescent properties of bis(2-(4-methyl-2-hydroxyphenyl)benzothiazolate) zinc with excellent electron-transport characteristics

In this article, the molecular structure, photoluminescent and electroluminescent properties of bis(2-(4-methyl-2-hydroxyphenyl) benzothiazolate) zinc (Zn(4-MeBTZ)2) with good electron-transport characteristics were reported. This complex was identified as triclinic structure with the strong intermolecular π–π stacking interactions between the benzothiazolate/phenoxido rings and weak intramolecular hydrogen bonds by X-ray single-crystal diffraction. Quantum chemical method has been employed to investigate electron structure and charge transport property. The blue-green light emission was observed by fabricating double-layer devices using Zn(4-MeBTZ)2 as electron-transport and NPB as hole-transport material. The performance of organic light-emitting devices based on Zn(4-MeBTZ)2 is much better than that of the devices based on [Zn(BTZ)2]2.

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► The synthesis, crystal structure and photophysical properties of Zn(4-MeBTZ)2 were reported.
► The electron-transport property was investigated by theoretical calculations and experimental.
► We found that Zn(4-MeBTZ)2 has a higher electron mobility than that of [Zn(BTZ)2]2 and the devices based on it have a lower turn-on voltage.