The development of organic dyes with high fluorescence quantum yield (FLQY) and tunable
emission has significant application potential in biomedicine and material science.
The synthesis of four N-bridged annulated BODIPY dyes with styryl units at the 3- and 3,5-positions of the
BODIPY core, introduced by Knoevenagel condensation reaction, is reported. These dyes
show high FLQY and tunable fluorescence. The intrinsic relationship between structure
and properties is comprehensively analyzed through density functional theory (DFT)
calculations, which is crucial for the rational design of new BODIPY dyes with desired
properties for specific applications.
Key words
BODIPY -
N-bridged annulation - Knoevenagel condensation reaction - Cadogan reaction - TD-DFT
calculation