Molecules (Apr 2016)

New Look on 3-Hydroxyiminoflavanone and Its Palladium(II) Complex: Crystallographic and Spectroscopic Studies, Theoretical Calculations and Cytotoxic Activity

  • Maria Kasprzak,
  • Małgorzata Fabijańska,
  • Lilianna Chęcińska,
  • Leszek Szmigiero,
  • Justyn Ochocki

DOI
https://doi.org/10.3390/molecules21040455
Journal volume & issue
Vol. 21, no. 4
p. 455

Abstract

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This work presents the synthesis, spectroscopic properties and single-crystal X-ray examination of the structure of 3-hydroxyiminoflavanone and its palladium complex. It presents the results of NMR (Nuclear Magnetic Resonance) spectroscopy, electron-density studies based on X-ray wavefunction refinement and theoretical calculations combined with QTAIM (Quantum Theory of Atoms in Molecules) and ELI-D (Electron Localizability Indicator) analyses. These offer an interesting new insight into the structures and behavior of flavanone and its complex, in solid state and in solution. The study also examines the cytotoxicity of the ligand and its complex against three human ovarian and lung cancer cell lines.

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