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Назив: Preparation, configurational and DFT-NBO analysis of nickel(II) complexes with edta-type ligands containing six-membered backbone ring: Crystal structure of [Ni(H <inf>2</inf>O) <inf>6</inf>][Ni(1,3-pdta)]·2H <inf>2</inf>O
Аутори: Belošević Svetlana
Vasojević Miorad
Jeremić, Marija
Meetsma Auke
Matović, Zoran
Датум издавања: 2013
Сажетак: New hexadentate nickel(II) complex Mg[Ni(1,3-pd3ap)]·10H 2O 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(O 5)] 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. © 2013 Taylor & Francis Group, LLC.
URI: https://scidar.kg.ac.rs/handle/123456789/10321
Тип: article
DOI: 10.1080/00958972.2013.789104
ISSN: 0095-8972
SCOPUS: 2-s2.0-84877649584
Налази се у колекцијама:Faculty of Science, Kragujevac

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