NLOphoric imidazole-fused fluorescent anthraquinone dyes.

The Z-scan and DFT techniques were explored to investigate the non-linear optical properties of anthraquinone fused imidazole-based D-π-A dyes. With the help of UV-visible spectral analysis, pH study, CV analysis, HOMO-LUMO interaction, MEP plots, and quinoidal character the influence of intramolecular charge transfer characteristics and H-bonding process on electronic and photophysical studies of anthraquinone derivatives were understood. The dyes 2-(4-(diethylamino)-2-hydroxyphenyl)-3H-anthra[1,2-d]imidazole-6,11-dione (AQ1) and 2-(2-hydroxynaphthalen-1-yl)-1H-anthra[1,2-d]imidazole-6,11-dione (AQ2) displayed a single emission with pronounced Stokes shift and thermal stability (upto 290 °C).