Furyl derivatives of pyrene: Efficient synthesis and relevant optical properties

• We presented the synthesis of series of novel various furyl derivatives of pyrene.
• We reported also the spectroscopic characterization of a whole series of synthesized compounds.
• Furthermore, we described absorption and fluorescence properties and DFT calculation of obtained materials.
• The energy levels of the synthesized materials were investigated by UV–Vis absorption supported by fluorescence spectra.

A series of various furyl derivatives of pyrene were synthesized by Stille cross-coupling procedure. Their structures were characterized by nuclear magnetic resonance, and elemental analysis. Optical properties of the synthesized materials as well as their energy levels were investigated by ultraviolet–visible absorption supported by fluorescence spectra. All of the studied compounds exhibit fluorescence with energy peaks dependent on the number of furyl substituents. Furthermore, quantum mechanical modeling method of obtained materials are studied. Experimental data are focused on quantum chemical calculations. Highest occupied molecular and lowest unoccupied molecular orbitals are delocalized uniformly on both pyrene core and furyl substituents. Furanyl-pyrene hybrids are potentially good materials for optical applications mainly due to their optical and charge transport properties, which are also desired for electronic applications.

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