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Structural, spectroscopic and quantum chemical studies of acetyl hydrazone oxime and its palladium(II) and platinum(II) complexes

Date

2015

Author

Kaya, Yunus
Icsel, Ceyda
Yılmaz, Veysel T.
Büyükgüngör, Orhan

Metadata

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Abstract

Acetyl hydrazone oxime, [(1E,26)-2-(hydroxyimino)-1-phenylethylidene]acetohydrazone (hipeahH(2)) and its palladium(II) and platinum(II) complexes, [M(hipeahH)(2)] (M = Pd-II and Pt-II), have been synthesized and characterized by elemental analysis, UV-vis IR, NMR and LC-MS techniques. X-ray diffraction analysis of [Pd(hipeahH)(2)] shows that the two hipeahH(2) ligands are not equal; one of the ligands loses the hydrazone proton, while the other one loses the oxime proton, resulting in a different coordination behavior to form five- and six-membered chelate rings. The molecular geometries from X-ray experiments in the ground state were compared using the density functional theory (DFT) with the B3LYP method combined with the 6-311++G(d,p) basis set for the ligand and the LanL2DZ basis set for the complexes. Comprehensive theoretical and experimental structural studies on the molecule have been carried out by FT-IR, NMR and UV-vis spectrometry. In addition, the isomer studies of ligand and its complexes were made by DFT. (C) 2015 Elsevier B.V. All rights reserved.

Source

Journal of Molecular Structure

Volume

1095

URI

https://doi.org/10.1016/j.molstruc.2015.04.024
https://hdl.handle.net/20.500.12712/14076

Collections

  • Scopus İndeksli Yayınlar Koleksiyonu [14046]
  • WoS İndeksli Yayınlar Koleksiyonu [12971]



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