Third-order nonlinear optical properties of copper(II)bis{2-[(4-iodophenyl)iminomethyl]-6-methoxy-phenolate}

YAĞLIOĞLU H. G., Karakas A., Unver H., Elmali A.

ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES, vol.61, no.11, pp.1355-1360, 2006 (SCI-Expanded) identifier

  • Publication Type: Article / Article
  • Volume: 61 Issue: 11
  • Publication Date: 2006
  • Journal Name: ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.1355-1360
  • Keywords: copper(II) complex, time-dependent Hartree-Fock, static third-order hyperpolarizability, UV-visible spectroscopy, ab initio calculation, STILBENE DERIVATIVES, HYPERPOLARIZABILITY, PHTHALOCYANINES, LENGTH
  • Ankara University Affiliated: Yes

Abstract

Copper(II)bis {2-[(4-iodophenyl)iminomethyl]-6-methoxy-phenolate} has been synthesized, characterized by UV-visible spectroscopy, and its crystal structure determined by X-ray diffraction. The Cu atom is situated on a twofold axis and the geometry around the metal centre can be described as distorted square planar with a trans configuration. The absorption maxima are shorter than 450 nm, giving rise to good optical transparency in the visible and near IR. To reveal the microscopic third-order NLO properties, the static second hypetpolarizabilities have been evaluated by using the ab initio time-dependent Hartree-Fock (TDHF) method. According to the results, the title complex exhibits non-zero gamma values, implying microscopic third-order NLO behavior.