Z-scan determination and ab-initio computations on third-order optical nonlinearities of a styrylquinolinium dye

In order to elucidate the third-order nonlinear optical (NLO) phenomena of the styrylquinolinium dye (1), the nonlinear absorption parameter (ß) and third-order susceptibility (χ⁽³⁾) have been measured using the Z-scan measurements. The one-photon absorption (OPA) and two-photon absorption (TPA) characterizations have been determined by configuration interaction (CI) and time-dependent Hartree-Fock (TDHF) methods, respectively. The averaged (isotropic) second hyperpolarizability (〈γ〉) allows the determination of the third-order optical response. The ab-initio calculation on 〈γ〉 with non-zero value reveals that the title dye has relatively good third-order NLO properties. The calculated results of 1 on OPA wavelength, TPA cross-section (δ(ω)) and third-order susceptibility are in reasonable agreement with its experimental data.