Possibilities of tetra-, penta-, and hexacoordination in quantum-chemical simulation of mechanism of formation and stereoisomerization of bisligand azomethine complexes of Zn(II), Cd(II), and Hg(II)
- Authors: Kharabayev N.N.1
-
Affiliations:
- Research Institute of Physical and Organic Chemistry
- Issue: Vol 87, No 4 (2017)
- Pages: 756-763
- Section: Article
- URL: https://journals.rcsi.science/1070-3632/article/view/219237
- DOI: https://doi.org/10.1134/S1070363217040156
- ID: 219237
Cite item
Abstract
The competition between tetra-, penta-, and hexacoordination with the MN2O2, MN2O2X, and MN2O2X2 (X = S, Se) coordination nodes, respectively, during the formation of bisligand Zn(II), Cd(II), and Hg(II) complexes with bi- and tridentate heterocyclic azomethines has been studied by means of quantumchemical DFT simulation of the complex formation and further stereoisomerization. It has been found that pentacoordination was favorable for the Cd(II) and Hg(II) complexes, whereas the Zn(II) complexes are tetracoordinate.
About the authors
N. N. Kharabayev
Research Institute of Physical and Organic Chemistry
Author for correspondence.
Email: kharabayev@ipoc.sfedu.ru
Russian Federation, pr. Stachki 194/2, Rostov-on-Don, 344090