Abstract
The present study gives an insight in to the structural and optical characteristics of a novel azo compound 4-[(Z)-(6-Nitro-1,3-benzothiazol-2-yl) diazinyl]-1,3-dihydro-2H-indol-2-one. Spectroscopic characterisation using UV–visible, FT-IR and FT-Raman is highly useful for obtaining the structural and optical properties. B3LYP method with 6–311++ G (d, p) basis set gives the optimised structure of the compound. Natural bond analysis helps to analyse the charge interactions in the molecule. HOMO LUMO energy gap values clearly indicate the chemical stability and maximum charge transfer possible in the molecule. The nonlinear absorption and refraction of the synthesized dye is evaluated with Z-scan technique using an Nd: YAG laser of 532 nm. The dye exhibits optical limiting property because of its reverse saturable behaviour.
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