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)

Donmez E., Kara H., Karakas A., Unver H., Elmali A.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, cilt.66, sa.4-5, ss.1141-1146, 2007 (SCI-Expanded) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 66 Sayı: 4-5
  • Basım Tarihi: 2007
  • Doi Numarası: 10.1016/j.saa.2006.05.027
  • Dergi Adı: SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.1141-1146
  • Anahtar Kelimeler: copper(II) complex, crystal structure, second-order nonlinear optics, electric dipole moment, UV-vis spectroscopy, DERIVATIVES, HYPERPOLARIZABILITIES, COPPER(II), COMPLEXES, POLYMER
  • Ankara Üniversitesi Adresli: Evet

Özet

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. (c) 2006 Elsevier B.V. All rights reserved.