Yaglioglu, Halime G.Karakas, AsliUnver, HseyinElmali, Ayhan2020-03-262020-03-2620060932-0776https://hdl.handle.net/20.500.12395/20752Copper(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.eninfo:eu-repo/semantics/closedAccesscopper(II) complextime-dependent Hartree-Fockstatic third-order hyperpolarizabilityUV-visible spectroscopyab initio calculationArticle611113551360WOS:000243369900007Q3