Study on the second order optical properties of N-(2,4-dichloro)-salicylaldimine

Karakas A., Unver H., Elmali A., Svoboda I.

ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, vol.60, no.5, pp.376-382, 2005 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 60 Issue: 5
  • Publication Date: 2005
  • Doi Number: 10.1515/zna-2005-0510
  • Journal Name: ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.376-382
  • Keywords: nonlinear optics, first hyperpolarizability, UV-visible spectroscopy, crystal structure, ab-initio calculation, NONLINEARITY
  • Ankara University Affiliated: No

Abstract

N-(2,4-Dichloro)-salicylaldimine was synthesized, characterized by elemental analysis, FT-IR, and UV-visible spectroscopy, and its crystal structure was determined. The title compound is almost planar and contains short intramolecular O-H center dot center dot center dot N hydrogen bonds [O1-N1 2.601(1) A]. It remains transparent in the visible region and has solvatochromic behavior in the UV region in the range 198 349 nm, implying non-zero microscopic first hyperpolarizability. The ab-initio quantum mechanical calculations (finite field second-order Moller Plesset perturbation theory) of the studied compound have been carried out to compute the electric dipole moment (mu) and the first hyperpolarizability (beta) values. The ab-initio results also show that this ligand might have microscopic nonlinear optical behavior with non-zero values.