Fluorescent Benzocoumarin-π-Extended Styryl Hybrids: Solvatochromism, Excess Dipole Moment, NLO Properties and DFT Study

Four benzo[h]chromen-3-yl)ethylidene) malononitrilestyryl hybrid dyes are presented for their potential non-linear optical properties using solvatochromism and density functional theory. The dyes are characterized by ¹H and ¹³C NMR and elemental analysis. They have different donor and same acceptor as dicyanovinyl coumarin. Absorption and emission properties are highly dependent on substituents and environment. Dyes 3a and 3c show absorption solvatochromism while 3b and 3d show emission solvatochromism. Solvatochromism is used for the evaluation of excited state dipole moment and nonlinear optical properties which are comparable with the computed values. Limits of hyperpolarizability are close to the experimental and calculated values. Results shows that these dyes having strong intramolecular charge transfer characters proposing their potential nonlinear optical character.