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    Third-order nonlinear optical properties of copper(II)bis{2-[(4-iodophenyl)iminomethyl]-6-methoxy-phenolate}
    (VERLAG Z NATURFORSCH, 2006) Yaglioglu, Halime G.; Karakas, Asli; Unver, Hseyin; Elmali, Ayhan
    Copper(II)bis {2-[(4-iodophenyl)iminomethyl]-6-methoxy-phenolate} has been synthesized, characterized by UV-visible spectroscopy, and its crystal structure determined by X-ray diffraction. The Cu atom is situated on a twofold axis and the geometry around the metal centre can be described as distorted square planar with a trans configuration. The absorption maxima are shorter than 450 nm, giving rise to good optical transparency in the visible and near IR. To reveal the microscopic third-order NLO properties, the static second hypetpolarizabilities have been evaluated by using the ab initio time-dependent Hartree-Fock (TDHF) method. According to the results, the title complex exhibits non-zero gamma values, implying microscopic third-order NLO behavior.