Schiff Base Zinc(II) Complexes as Promising Emitters for Blue Organic Light-Emitting Diodes

Organometallic blue fluorescent Zn(II) Schiff base complexes are synthesized and explored computationally in order to use them in organic electroluminescent heterostructures. Characterization of these pyrazolone-based azomethine–zinc complexes was accomplished by various physicochemical techniques to get insight into their applicability as an active layer in light-emitting diodes. All the complexes demonstrate high thermal stability and remarkable photoluminescence both in solution and in the solid state with maximum in the blue region. Quantum chemical calculations of the first exited electronic state and vertical singlet–singlet electronic transitions by means of time-dependent density functional theory calculations and results show that the origin of the luminescence for the target complexes refers to the intraligand charge transfer within the Schiff bases. The constructed light-emitting diodes demonstrate low input voltage (3.2–4.0 V), brightness at a level of 4300–11,600 Cd m–2, and external quantum efficiency of up to 3.2%, which is a good value for purely fluorescent organic light-emitting diodes.