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Vol. 30 No. 7 (2018): Vol 30 Issue 7

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Synthesis, Spectral Studies and DFT Calculation of Copper(II) Complexes with Mixed Ligands

https://doi.org/10.14233/ajchem.2018.21363%20
Manoj Kumar
Synthetic Inorganic and Metallo-Organic Research Laboratory, Department of Chemistry, University of Allahabad, Allahabad-211 002, India
Afreen Anjum
Synthetic Inorganic and Metallo-Organic Research Laboratory, Department of Chemistry, University of Allahabad, Allahabad-211 002, India
Nitesh Jaiswal
Synthetic Inorganic and Metallo-Organic Research Laboratory, Department of Chemistry, University of Allahabad, Allahabad-211 002, India
Raj Kumar Dubey
Synthetic Inorganic and Metallo-Organic Research Laboratory, Department of Chemistry, University of Allahabad, Allahabad-211 002, India

Corresponding Author(s) : Raj Kumar Dubey

rajalkoxy@yahoo.com

Asian Journal of Chemistry, Vol. 30 No. 7 (2018): Vol 30 Issue 7

Abstract

The reaction of copper(II) chloride with Schiff bases and alkanolamines in 1:1:1 molar ratio(s) resulted a series of mixed ligand copper(II) complexes of general formula [Cu(sb)(aa)] (1-6), [where sb = Schiff base; salicylidine-1-aminobenzene (sabH) (1,4), salicylidene-4-chloro-1-aminobenzene (scabH) (2,5), salicylidene-4-methyl-1-aminobenzene (smabH) (3,6) and aa = alkanolamine; ea = ethanolamine 1-3, pa = propanolamine 4-6]. These complexes were found to be coloured solid and are soluble in DMF and DMSO. All the complexes were characterized by elemental analysis (C, H, N and Cu), IR, ESI-MS, ESR, PXRD, TG-DTG and SEM-EDAX spectroscopic studies. In order to provides a theoretical support to experimental observation, energy calculation of synthesized complexes has been done through the DFT calculations by using Gaussian 09 program with basis set B3LYP. On the basis of these observations distorted square planar geometry around the copper(II) is tentatively proposed.

Keywords

Copper(II) complex Schiff base ESR DFT Square planar geometry
Kumar, M., Anjum, A., Jaiswal, N., & Dubey, R. K. (2018). Synthesis, Spectral Studies and DFT Calculation of Copper(II) Complexes with Mixed Ligands. Asian Journal of Chemistry, 30(7), 1679–1684. https://doi.org/10.14233/ajchem.2018.21363
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