Heteroleptic cyclometalated Ir(III) complexes with charge transporting groups: A theoretical study

Efficient and stable high energy organic light emitting devices (OLEDs) are a vital component of new generation general illumination solutions. However, large charge imbalances in the emissive layer of OLEDs lead to charge accumulation and subsequent side reactions which lowers the device efficiency and dramatically shortens operational lifetime. Radical changes in the way emitter materials are designed are needed to address this problem. Conventional approaches have only focused on color tuning; however, multi-functional emitter materials are needed to assist the transport of charge in the emissive layer. We have designed new organometallic iridium phosphorescent materials with bipolar charge transport properties to be used in high energy OLEDs and white light configurations. Theoretical data presented here indicates that these new emitter complexes would improve charge transport in the emissive layer.