Non-linear optical study of BODIPY-benzimidazole conjugate by solvatochromic, Z-scan and theoretical methods

Abstract

BODIPY chromophore flanked with the benzimidazole moiety at 2-position has been investigated for its nonlinear optical (NLO) properties. Charge transfer character developed by the unsymmetrical substitution on the molecular framework and the solvatochromic behaviour of this dye inspired us to study its NLO characteristics. NLO response has been measured using solvatochromic method as well as the Z scan technique. The values obtained for nonlinear absorption coefficient (β) and third order susceptibility χ(3) are −7.45 × 10−12 and 3.85 × 10−13 respectively. Quantum chemical calculations have also been performed to estimate the NLO properties theoretically by using DFT method with three functionals viz B3LYP, BHHLYP and CAMB3LYP with 6-311 G (d,p) basis set. The results obtained from the DFT method are in well accordance with those produced from solvatochromic method.