Preparation, configurational and DFT–NBO analysis of nickel(II) complexes with edta-type ligands containing six-membered backbone ring: crystal structure of [Ni(H2O)6][Ni(1,3-pdta)]·2H2O
Year: 2013
Type: article
Abstract: Svetlana Beloševića, Miorad M. Vasojevića, Marija S. Jeremića, Auke Meetsmab & Zoran D. Matovića* a Faculty of Science, Department of Chemistry , University of Kragujevac , Kragujevac , Serbia b Stratingh Institute for Chemistry and Chemical Engineering , University of Groningen , Groningen , The Netherlands * E-mail: [email protected] New hexadentate nickel(II) complex Mg[Ni(1,3-pd3ap)]·10H2O containing unsymmetrical edta-type ligand, 1,3-propanediamine-N,N,N′-triacetate-N′-3-propionate (1,3-pd3ap), has been prepared, chromatographically separated, and characterized. Only one [trans(O5)] of the two possible geometrical isomers was isolated. In this isomer, the two five-membered glycinate rings (R rings) occupy trans-axial sites while the one glycinate ring and one β-alaninate ring lie in the equatorial plane with the two diamine nitrogens (G rings). This result confirms the assignment made on the basis of the density functional theory (DFT), IR, and UV–Vis spectral data analysis. In order to see cation influence on the structural and electronic behavior, [Ni(H2O)6][Ni(1,3-pdta)]·2H2O complex has also been prepared and its structure verified by an X-ray analysis. Spectral data and electronic transition assignment, DFT–natural bonding orbital, and an extensive strain analysis are discussed in comparison with those of other [Ni(edta-type)]2− complexes of known configuration.
Institutions: University of Kragujevac, University of Groningen
Language: English
Subfield: Inorganic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W2160396176