Development of Cu (I) luminescent complexes with ligands containing the groups selenodiazole and thiadiazole for application in OLEDS

Chemistry has been contributing to the development of various electronic devices based on organic and inorganic compounds in recent years. Among them, organic light emitting diodes (OLEDs) stand out. These devices can be flexible and transparent, different from the other existing devices. In addition, they have high resistance to mechanical stress and low power consumption compared to the current displays and lighting sources available in the market. The low energy consumption, among other things, led many research groups in search of new applications for them. OLEDs based on copper have been gaining attention over the past two decades. This metal has interesting properties and is abundant in the earth's crust in comparison with the currently used metals, such as iridium and platinum, which reduces the manufacturing costs of the devices. This work presents a synthesis and experimental characterization of four new copper (I) complexes with phosphine ligands and 1,10-phenanthroline derivatives containing the thiadiazole and selenodiazole groups. The compounds were characterized by several instrumental techniques as IR spectroscopy, UV-Vis, photoluminescence, mass spectrometry, elemental analysis of CHN and X-ray diffraction. Life time and quantum yield values in a solution and film are obtained and indicate that the addition of the thiadiazole and selenodiazole groups significantly change the emission of the complex. TDDFT and SOC-TDDFT calculations allowed the assignment of electronic transitions, calculation of spin-orbit coupling matrix elements, and energy difference between singleton and triplet states. The experimental and theoretical analyzes led to a proposal for the mechanism of emission of the complexes. Finally, an OLED device that is still in the stage of optimization is presented and is comparable to those currently available. (author)