Nonlinear optical properties of some derivatives of salicylaldimine-based ligands
JOURNAL OF MOLECULAR STRUCTURE, vol.702, no.1-3, pp.103-110, 2004 (SCI-Expanded, Scopus)
- Publication Type: Article / Article
- Volume: 702 Issue: 1-3
- Publication Date: 2004
- Doi Number: 10.1016/j.molstruc.2004.06.017
- Journal Name: JOURNAL OF MOLECULAR STRUCTURE
- Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
- Page Numbers: pp.103-110
- Keywords: nonlinear optical properties, schiff base ligands, electric dipole moment, first hyperpolarizability, ab-initio calculation, HYPERPOLARIZABILITIES, TAUTOMERISM
- Ankara University Affiliated: No
Abstract
A 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.