We found a match
Your institution may have access to this item. Find your institution then sign in to continue.
- Title
Zinc, copper and nickel complexes of a macrocycle synthesized from pyridinedicarboxylic acid: A spectroscopic, thermal and theoretical study.
- Authors
SOLEIMANI, ESMAIEL; NAGHI TAHERI, SAYED ALI; SARGOLZAEI, MOHSEN
- Abstract
The metal(II) ion complexes of a pentadentate macrocycle 1, namely 3,12-dioxa-6,9,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione are synthesized. This macrocycle is prepared from the reaction of dipotassium salt of 2,6-pyridinedicarboxylic acid with ethylenediamine and 1,2-dibromoethane. The reaction of 1 (L) in methanol with MCl2.xH2O gave complexes with the general formula [M(L)Cl2] (where M= Ni(II) 2, Cu(II) 3 and Zn(II) 4, respectively). The analysis of IR, ¹H- and 13C-NMR spectral data of all complexes propose that 1 is bonded to metal(II) ions through a nitrogen atom of pyridine ring, two nitrogen atoms of amine groups and two oxygen atoms of ester moieties. The thermal analysis indicated that there are no water molecules of hydration or coordinated in the structure of the complexes. Among these complexes, the Cu(II) 3 complex demonstrated good antibacterial and antifungal activities. The molecular geometry, AIM atomic charge and frontier molecular orbitals of the compounds are investigated theoretically using DFT method. Based on the theoretical data of these complexes represented, a bipyramidal pentagonal arrangement can be envisaged in such a way that the N3O2 pentadentate donor sites form the planar pentagonal base of the bipyramid and the two Cl atoms occupy the vertexes.
- Subjects
MACROCYCLIC compounds; ETHYLENE dibromide; ETHYLENEDIAMINE; PYRIDINE; MOLECULAR models
- Publication
Journal of the Serbian Chemical Society, 2017, Vol 82, Issue 6, p665
- ISSN
0352-5139
- Publication type
Article
- DOI
10.2298/JSC161206039S