Karakaş, AslıÜnver, HüseyinElmalı, AyhanSvoboda, Ingrid2020-03-262020-03-262005Karakaş, A., Ünver, H., Elmali, A., Svoboda, I., (2005). Study on the Second Order Optical Properties of N-(2, 4-dichloro)-salicylaldimine. Verlag der Zeitschrift fur Naturforschung, 60(5), 376-382.0932-0784https://dx.doi.org/10.1515/zna-2005-0510https://hdl.handle.net/20.500.12395/20043N-(2,4-Dichloro)-salicylaldimine was synthesized, characterized by elemental analysis, FT-IR, and UV-visible spectroscopy, and its crystal structure was determined. The title compound is almost planar and contains short intramolecular O-H... N hydrogen bonds [O1-N1 2.601(1) Å]. It remains transparent in the visible region and has solvatochromic behavior in the UV region in the range 198 349 nm, implying non-zero microscopic first hyperpolarizability. The ab-initio quantum mechanical calculations (finite field second-order Møller Plesset perturbation theory) of the studied compound have been carried out to compute the electric dipole moment (?) and the first hyperpolarizability (?) values. The ab-initio results also show that this ligand might have microscopic nonlinear optical behavior with non-zero values.en10.1515/zna-2005-0510info:eu-repo/semantics/openAccessAb-initio CalculationCrystal StructureFirst HyperpolarizabilityNonlinear OpticsUv-visible SpectroscopyArticle605376382Q3WOS:000229779400010Q3