Modulating fluorescence of 8-quinolinolato compounds by functional groups:A theoretical study

Substituent dependence of a fluorescence energy of the 8-quinolinolato anio n (Q(-)) was systematically investigated with electronic structure calculat ions. Large red- and blueshifts of the fluorescence were predicted for Q(-) with the NO2 and CN groups, respectively. For bis(8-quinolinolato)berylium with the NO2 and CN groups, the emission energies were calculated to be 1. 56 eV (795 nm) and 2.66 eV (466 nm), respectively, indicating that they are potential candidates as red- and blue-light-emitting compounds. (C) 2001 A merican Institute of Physics.