Theoretical studies on linear and nonlinear optical characterization and optical limiting property of Pb(II), In(III) chloride, Ni(II) metallated 1,4,8,11,15,18,22,25-octaalkylphthalocyanines

Karakas, AsliElmali, Ayhan2020-03-262020-03-2620070218-8635https://dx.doi.org/10.1142/S0218863507003664https://hdl.handle.net/20.500.12395/21708To provide an insight into the optical limiting ( OL) behavior of a series of 3 metallated 1,4,8,11,15,18,22,25-octaalkylphthalocyanines; the third-order nonlinear optical ( NLO) properties, one-photon absorption ( OPA) and two-photon absorption ( TPA) characterizations have been theoretically investigated by means of AM1, ZINDO and configuration interaction ( CI) methods. The highest values for the TPA cross-section ( delta(omega)) are exhibited by derivatives metallated with indium and lead. It is also seen that the nickel-metallated compound might be a passive optical limiter of the series, indicating the weakest delta(omega) and second hyperpolarizability (gamma). Our calculated results are in good agreement with the previous experimental observations on the examined molecules.en10.1142/S0218863507003664info:eu-repo/semantics/closedAccessoptical limitingthird-order optical nonlinearitytwo-photon absorptionAM1ZINDOCIphthalocyanineTheoretical studies on linear and nonlinear optical characterization and optical limiting property of Pb(II), In(III) chloride, Ni(II) metallated 1,4,8,11,15,18,22,25-octaalkylphthalocyaninesArticle162247254Q3WOS:000250970200009Q4