Interaction of Oxygen with Poly(paraphenylene vinylene): A Theoretical Study

The electronic properties of conjugated polymers can be modified upon oxygen exposure. Such modifications influence the operation of conjugated polymer-based electrooptic devices, such as light-emitting diodes and photodiodes. In this contribution, the interaction of molecular oxygen with poly(paraphenylene vinylene) is investigated theoretically on the basis of quantum-mechanical calculations carried out on molecular model systems.