Complexation of manganese(II), cobalt(II), nickel(II) and copper(II) by  a ligand derived from 1,2,4-triazole: Potentiometric studies and Density Functional Theory calculations

Ouassini Benali Baitich; Nawel Lechani; Maamar Hamdi; Fahima Aklil; Samia Khabouche; Djaffar Kheffache; Sofiane Moussi; Ourida Ouamerali

doi:10.5155/eurjchem.4.3.285-291.827

European Journal of Chemistry 2013, 4(3), 285-291 | doi: https://doi.org/10.5155/eurjchem.4.3.285-291.827 | Get rights and content

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Complexation of manganese(II), cobalt(II), nickel(II) and copper(II) by a ligand derived from 1,2,4-triazole: Potentiometric studies and Density Functional Theory calculations

Ouassini Benali Baitich ^(1,*)

, Nawel Lechani ⁽²⁾

, Maamar Hamdi ⁽³⁾

, Fahima Aklil ⁽⁴⁾

, Samia Khabouche ⁽⁵⁾

, Djaffar Kheffache ⁽⁶⁾

, Sofiane Moussi ⁽⁷⁾

, Ourida Ouamerali ⁽⁸⁾

⁽¹⁾ Laboratoire d’Hydrométallurgie et Chimie Inorganique Moléculaire, Faculté de Chimie USTHB, BP32, El Alia, Bab Ezzouar, Algeria
⁽²⁾ Laboratoire de Chimie Organique Appliquée, Faculté de Chimie, USTHB, BP32, El Alia, Bab Ezzouar, Algeria
⁽³⁾ Laboratoire de Chimie Organique Appliquée, Faculté de Chimie, USTHB, BP32, El Alia, Bab Ezzouar, Algeria
⁽⁴⁾ Laboratoire d’Hydrométallurgie et Chimie Inorganique Moléculaire, Faculté de Chimie USTHB, BP32, El Alia, Bab Ezzouar, Algeria
⁽⁵⁾ Laboratoire d’Hydrométallurgie et Chimie Inorganique Moléculaire, Faculté de Chimie USTHB, BP32, El Alia, Bab Ezzouar, Algeria
⁽⁶⁾ Laboratoire de Chimie Théorique Computationnelle et Photonique, Faculté de Chimie, USTHB, BP 32, El Alia, Bab Ezzouar, Algeria
⁽⁷⁾ Laboratoire de Chimie Théorique Computationnelle et Photonique, Faculté de Chimie, USTHB, BP 32, El Alia, Bab Ezzouar, Algeria
⁽⁸⁾ Laboratoire de Chimie Théorique Computationnelle et Photonique, Faculté de Chimie, USTHB, BP 32, El Alia, Bab Ezzouar, Algeria
^(*) Corresponding Author

Received: 12 May 2013 | Accepted: 17 Jun 2013 | Published: 30 Sep 2013 | Issue Date: September 2013

Abstract

DFT calculations have been conducted to understand the conformational and tautomeric preference of 4-amino-5-(2-hydroyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione ligand. The results suggest that the thione tautomer is found to be the most stable form in the gas phase, which is in very good agreement with the FT-IR and crystallographic data. The protonation constants of the ligand and the stability constants of its complexes with Mn(II), Co(II), Ni(II) and Cu(II) have been determined by potentiometry in water-ethanol (90:10, v:v) mixture. The absolute pKa values of the ligand have been calculated using DFT method to complement and help the assignment of potentiometric data. DFT calculations have also been carried out for some metallic complexes species formed in solution in order to propose their most probable structures.

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Keywords

Potentiometry; DFT calculations; Stability constants; 1,2,4-Triazole ligand; Dissociation constants; Thione-thiol tautomerism

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DOI: 10.5155/eurjchem.4.3.285-291.827

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Citations

[1]. Leandro L.G. de Oliveira, Fabio A.C. Suquila, Fernanda M. de Oliveira, Guilherme L. Scheel, César R.T. Tarley
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[2]. Nadia Boceiri, Tayeb Benabdallah, Mohammed Hadj Youcef, Hasnia Reffas
Synthesis and Characterization of a Novel Series of Amphiphilic Mercapto-1,2,4-Triazole Schiff Base Ligands: Investigation of their Behavior in Hydro-Organic Solutions
Journal of Surfactants and Detergents 19(3), 583, 2016
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How to cite

Baitich, O.; Lechani, N.; Hamdi, M.; Aklil, F.; Khabouche, S.; Kheffache, D.; Moussi, S.; Ouamerali, O. Eur. J. Chem. 2013, 4(3), 285-291. doi:10.5155/eurjchem.4.3.285-291.827

Baitich, O.; Lechani, N.; Hamdi, M.; Aklil, F.; Khabouche, S.; Kheffache, D.; Moussi, S.; Ouamerali, O. Complexation of manganese(II), cobalt(II), nickel(II) and copper(II) by a ligand derived from 1,2,4-triazole: Potentiometric studies and Density Functional Theory calculations. Eur. J. Chem. 2013, 4(3), 285-291. doi:10.5155/eurjchem.4.3.285-291.827

Baitich, O., Lechani, N., Hamdi, M., Aklil, F., Khabouche, S., Kheffache, D., Moussi, S., & Ouamerali, O. (2013). Complexation of manganese(II), cobalt(II), nickel(II) and copper(II) by a ligand derived from 1,2,4-triazole: Potentiometric studies and Density Functional Theory calculations. European Journal of Chemistry, 4(3), 285-291. doi:10.5155/eurjchem.4.3.285-291.827

Baitich, Ouassini, Nawel Lechani, Maamar Hamdi, Fahima Aklil, Samia Khabouche, Djaffar Kheffache, Sofiane Moussi, & Ourida Ouamerali. "Complexation of manganese(II), cobalt(II), nickel(II) and copper(II) by a ligand derived from 1,2,4-triazole: Potentiometric studies and Density Functional Theory calculations." European Journal of Chemistry [Online], 4.3 (2013): 285-291. Web. 28 May. 2023

Baitich, Ouassini, Lechani, Nawel, Hamdi, Maamar, Aklil, Fahima, Khabouche, Samia, Kheffache, Djaffar, Moussi, Sofiane, AND Ouamerali, Ourida. "Complexation of manganese(II), cobalt(II), nickel(II) and copper(II) by a ligand derived from 1,2,4-triazole: Potentiometric studies and Density Functional Theory calculations" European Journal of Chemistry [Online], Volume 4 Number 3 (30 September 2013)

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DOI Link: https://doi.org/10.5155/eurjchem.4.3.285-291.827

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