Synthesis, structural and DFT investigation of Zn(nba)2(meim)2 for adsorptive removal of eosin yellow dye from aqueous solution

Oladipo, A. C. and Tella, A.C. and Olayemi, V. T. and Adimula, V. O. and Dembaremba, T. O. and Ogunlaja, V. O. and Clayton, H. S. and Clarkson, G. J. and Walton, R. I. (2020) Synthesis, structural and DFT investigation of Zn(nba)2(meim)2 for adsorptive removal of eosin yellow dye from aqueous solution. Zeitschrift für anorganische und allgemeine Chemie, 647 (7). pp. 783-793.

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Official URL: https://onlinelibrary.wiley.com/doi/abs/10.1002/za...

Abstract

A novel Zn(II) mixed-ligand complex, Zn(nba)2(meim)2 (1), synthesized from Zn(NO3)2.6H2O, nitrobenzoic acid (Hnba) and 1-methylimidazole (meim) is reported. The complex was characterized by elemental analysis, FT-IR, powder and single crystal X-ray crystallography and TGA/DSC. 1 exhibits a tetrahedral geometry for Zn(II), which is coordinated to two carboxylate oxygen atoms from two nba anions and two imidazole nitrogen atoms from two meim molecules. Thermal analysis shows the stability of 1 up to 260°C. The adsorption of eosin yellow (EY) dye on 1 was investigated. The adsorption capacity of 1 for EY amounted to 65.32 mg/g, fitting best into Langmuir isotherm and pseudo second order kinetic models. From DFT studies, it was determined that adsorption is predominantly due to electrostatic, hydrogen bonding and π-π interactions.

Item Type: Article
Subjects: Q Science > QD Chemistry
Depositing User: Mrs Adetola Oladipo
Date Deposited: 13 Jul 2021 15:56
Last Modified: 13 Jul 2021 15:56
URI: https://eprints.lmu.edu.ng/id/eprint/3440

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