title: Synthesis, molecular structure, spectroscopic studies and second-order nonlinear optical behaviour of N,N'-(2-hydroxy-propane-1,3-diyl)-bis(5-nitrosalicylaldiminato-N,O)-copper(II).
abstract: N,N'-(2-Hydroxy-propane-1,3-diyl)-bis(5-nitrosalicylaldiminato-N,O)-copper(II) has been synthesized. The crystal structure has been determined by X-ray diffraction analysis, and linear optical characterization has been determined by UV-vis spectroscopy. It was found that the molecule under investigation has solvatochromic behaviour in the UV region, implying non-zero microscopic first hyperpolarizability. To reveal the microscopic nonlinear optical (NLO) properties, the static first hyperpolarizabilities (beta) and the electric dipole moments (mu) were evaluated by using the ab initio finite field (FF) method. According to the results of the FF calculations, the synthesized compound exhibits non-zero beta values, and it might have microscopic NLO behaviour.
authors.affiliation: Balikesir University, Faculty of Art and Sciences, Department of Physics, TR-10100 Balikesir, Turkey.
authors.forename: Emine
authors.initials: E
authors.lastname: Donmez
authors.forename: Hulya
authors.initials: H
authors.lastname: Kara
authors.forename: Asli
authors.initials: A
authors.lastname: Karakaş
authors.forename: Hüseyin
authors.initials: H
authors.lastname: Unver
authors.forename: Ayhan
authors.initials: A
authors.lastname: Elmali
mesh_terms: D003300:Copper / Q000737:chemistry*; D018360:Crystallography, X-Ray; D008956:Models, Chemical; D017711:Nonlinear Dynamics; D009942:Organometallic Compounds / Q000138:chemical synthesis* / Q000737:chemistry*; D012997:Solvents; D017550:Spectroscopy, Fourier Transform Infrared; D055672:Static Electricity
chemical_list: C519786:N,N'-(2-hydroxy-propane-1,3-diyl)-bis(5-nitrosalicylaldiminato-N,O)-copper(II); D009942:Organometallic Compounds; D012997:Solvents; D003300:Copper