Karakas, AElmali, AUnver, HSvoboda, I2020-03-262020-03-2620040022-28601872-8014https://dx.doi.org/10.1016/j.molstruc.2004.06.017https://hdl.handle.net/20.500.12395/19138A series of potential nonlinear optical (NLO) compounds, (-OH) and (-Cl) substituted derivatives of salicylaldimine-based ligands 1-6 (Fig. 2), was designed and synthesized. Compounds 1 and 2 were characterized by X-ray diffraction analysis, elemental analysis, IR, H-1-NMR, C-13-NMR and UV-Visible spectroscopies. The electric dipole moments (mu) and the first hyperpolarizabilities (beta) of the compounds 1-6 were calculated using ab-initio quantum calculations (finite field Moller Plesset perturbation theory). The calculation results reveal that the substituent positions play a significant role in NLO properties of these compounds. (C) 2004 Elsevier B.V. All rights reserved.en10.1016/j.molstruc.2004.06.017info:eu-repo/semantics/openAccessnonlinear optical propertiesschiff base ligandselectric dipole momentfirst hyperpolarizabilityab-initio calculationArticle70201.03.2020103110Q2WOS:000223297100013Q3