Systematic color tuning of a family of luminescent azole-based organoboron compounds suitable for OLED applications

A new tunable luminescent family of heterocyclic aromatic compounds containing boron has been prepared and characterized through NMR spectroscopy, mass spectrometry, absorption and fluorescence spectroscopy as well as structural study using single crystal X-ray crystallography. Spectroscopic properties of the new compounds were also studied using DFT and TDDFT computational models that showed very good agreement of the theoretical data with experimental results. Through introduction of auxochromic atoms such as sulfur and extension of the π system of the ligands it is possible to cover a large range of the visible spectrum. Activation and enhancement of the luminescence is achieved by condensation reactions that introduce the boron fragment forming stable, sublimable compounds suitable for OLED applications.