Nonlinear optical properties of some derivatives of salicylaldimine-based ligands
JOURNAL OF MOLECULAR STRUCTURE, cilt.702, sa.1-3, ss.103-110, 2004 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 702 Sayı: 1-3
- Basım Tarihi: 2004
- Doi Numarası: 10.1016/j.molstruc.2004.06.017
- Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
- Sayfa Sayıları: ss.103-110
- Anahtar Kelimeler: nonlinear optical properties, schiff base ligands, electric dipole moment, first hyperpolarizability, ab-initio calculation, HYPERPOLARIZABILITIES, TAUTOMERISM
- Ankara Üniversitesi Adresli: Hayır
Özet
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.