Solvation state of iron(III) in aqueous solutions of dimethyl sulfoxide. Complex formation ability of iron(III) with respect to derivatives of sym-triazine and bis(hydrazinocarbonylmethyl) sulfoxide
- Authors: Neklyudov V.V.1, Boos G.A.1, Chmutova G.A.1, Fattakhov S.G.2, Shulaeva M.M.2, Bagina Y.I.1, Salnikov Y.I.1
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Affiliations:
- Kazan Federal University
- Arbuzov Institute of Organic and Physical Chemistry, Kazan Scientific Center
- Issue: Vol 86, No 10 (2016)
- Pages: 2367-2374
- Section: Article
- URL: https://journals.rcsi.science/1070-3632/article/view/216406
- DOI: https://doi.org/10.1134/S1070363216100200
- ID: 216406
Cite item
Abstract
Parameters of the solvation equilibria \({\left[ {Fe{{\left( {{H_2}O} \right)}_6}} \right]^{3 + }} + nDMSO \rightleftarrows {\left[ {Fe{{\left( {{H_2}O} \right)}_{6 - n}}{{\left( {DMSO} \right)}_n}} \right]^{3 + }} + n{H_2}O\) have been determined in aqueous-dimethyl sulfoxide solutions (0–90 vol% DMSO) by means of spectrophotometry and mathematical modeling of equilibria. Iron(III) is not involved in the complex formation with derivatives of sym-triazine: 2,4-diamino-6-(carbamoylmethylsulfinylmethyl)-1,3,5-triazine and 2,4-diamino-6-(acetohydrazidomethylsulfinylmethyl)-1,3,5-triazine in aqueous DMSO medium (40 vol % DMSO). Bis(hydrazinocarbonylmethyl) sulfoxide forms two complexes with iron(III), with 1: 1 and 1: 2 compositions; in contrast to the Cu(II) and Ni(II) complexes, in the iron complexes the ligand exists in the amide form. The most probable structures of the complexes have been revealed by molecular mechanics simulation and (in selected cases) using the DFT/B3LYP/6-31++G(d,p) density functional theory method.
About the authors
V. V. Neklyudov
Kazan Federal University
Email: sacredbox@hotmail.com
Russian Federation, ul. Kremlevskaya 18, Kazan, Tatarstan, 420008
G. A. Boos
Kazan Federal University
Author for correspondence.
Email: sacredbox@hotmail.com
Russian Federation, ul. Kremlevskaya 18, Kazan, Tatarstan, 420008
G. A. Chmutova
Kazan Federal University
Email: sacredbox@hotmail.com
Russian Federation, ul. Kremlevskaya 18, Kazan, Tatarstan, 420008
S. G. Fattakhov
Arbuzov Institute of Organic and Physical Chemistry, Kazan Scientific Center
Email: sacredbox@hotmail.com
Russian Federation, Kazan, Tatarstan
M. M. Shulaeva
Arbuzov Institute of Organic and Physical Chemistry, Kazan Scientific Center
Email: sacredbox@hotmail.com
Russian Federation, Kazan, Tatarstan
Yu. I. Bagina
Kazan Federal University
Email: sacredbox@hotmail.com
Russian Federation, ul. Kremlevskaya 18, Kazan, Tatarstan, 420008
Yu. I. Salnikov
Kazan Federal University
Email: sacredbox@hotmail.com
Russian Federation, ul. Kremlevskaya 18, Kazan, Tatarstan, 420008