Catalyst-Free Synthesis of Benzofuran Derivatives from Cascade Reactions between Nitroepoxides and Salicylaldehydes.

Different benzofuran derivatives are synthesized via a catalyst-free reaction between nitroepoxides and salicylaldehydes. In the employed methodology, KCO and DMF have been used at 110 °C, and the reactions were completed after 12 h in 33-84% yields. The highest yields were obtained using 3-nitrosalicylaldehyde.

Ab-initio search for efficient red thermally activated delayed fluorescence molecules for organic light emitting diodes.

In this work, we present a computational study on 105 selected organic molecules in order to find suitable candidates for using as thermally activated delayed fluorescent (TADF) emitters in organic light emitting diodes (OLEDs), in the emission range of red light. Based on time-dependent density functional theory (TD-DFT) computations, three promising candidates were found, predicted to have low singlet-triplet splittings, lower than 0.06 eV, and TADF rates of 0.