Non-linear optical response of meso hybrid BODIPY: Synthesis, photophysical, DFT and Z scan study.

Hybrid meso BODIPY dyes are synthesized and their linear and non-linear optical properties are studied. Time-resolved fluorescence lifetime decay is found to be identical for all dyes irrespective of meso substituents. The Z-scan experiment performed to calculate the nonlinear absorption coefficient (β) and third-order nonlinear susceptibility (χ3 ). Global hybrid (B3LYP and BHHLYP) and range-separated hybrid (CAM-B3LYP) functional with the basis set 6-311++G(d,p) was employed to determine the theoretical linear and non-linear optical properties. The computed β0 value of all the three dyes was found to be superior to that of urea (βo = 0.371 × 10-30  esu). Introduction of meso substituent directly affects the polarizability and second-order hyperpolarizability of the dyes. Thermal and reorientational effect of the investigated NLOphoric dyes were studied.