A combined experimental and theoretical investigation of a new imineoxime and its palladium(II) and platinum(II) complexes: Synthesis, structural characterization and spectroscopic properties


Kaya Y., Icsel C., YILMAZ V. T. , Buyukgungor O.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, vol.133, pp.93-101, 2014 (SCI-Expanded) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 133
  • Publication Date: 2014
  • Doi Number: 10.1016/j.saa.2014.05.055
  • Journal Name: SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.93-101
  • Keywords: Imineoxime, Crystal structure, Palladium(II), Platinum(II), DFT calculations, Fluorescence, DENSITY-FUNCTIONAL THEORY, CRYSTAL-STRUCTURE, VIBRATIONAL ANALYSIS, MACROCYCLIC COMPLEX, TD-DFT, OXIME, SPECTRA, NICKEL(II), CHEMISTRY, SEQUENCES
  • Karadeniz Technical University Affiliated: No

Abstract

A new imineoxime compound {(1E,2E)-(2-hydroxy-ethylimino)-naphthalene-2yl-ethanal oxime (heineoH)} and its palladium(II) and platinum(II) complexes ([M(heineo)(2)]) have been synthesized and characterized by IR, NMR, UV-vis, elemental analysis, mass spectra and X-ray single crystal diffraction. [Pt(heineo)(2)] was obtained as a single crystal, while [Pd(heineo)(2)] was synthesized as a polycrystalline powder. The X-ray diffraction analysis of the [Pt(heineo)2] indicated that the platinum(II) ion is coordinated by two heineo ligands in a distorted square-planar geometry. DFT (B3LYP/6-311++G(d,p) and LANL2DZ) calculations on the ligand and its complexes were carried out to correlate the geometry and vibrational and electronic properties. Additionally, heineoH is fluorescent in EtOH at room temperature, but the fluorescence is quenched in the case of the metal complexes. (C) 2014 Elsevier B.V. All rights reserved.