RReversible Thermochromism and Halochromism of a Homoleptic Copper(II) complex containing Aminoethylethanolamine ligand, and DFT study

Articles in Press

Document Type : Research Article

Authors

1 Department of Inorganic Chemistry , University of Mazandaran, Babolsar, I.R. IRAN

2 Department of Chemistry, University of Mazandaran, Babol-sar 47416-95447

3 Department of Chemistry, University of Mazandaran

Abstract

Two dicationic copper(II) complexes, of general formula [CuL2]X2 where L= aminoethylethanolamine and X= ClO4- and Cl- were prepared with a relatively high yield. These complexes were characterized by elemental microanalysis, UV-Vis, IR spectroscopy techniques, thermal analysis, and molar conductance measurements. The proposed structure of the complex was geometrically optimized, and its structural parameters were calculated on the basis of B3LYP/LanL2DZ level using density functional theory (DFT) that is implemented in Gaussian09 program and the data were correlated with the current experimental data. The complexes demonstrated reversible halochromism with distinctive color change over the pH range of 0.66 to 13.00 attributed to protonation and deprotonation of the coordinated ligand. The complexes exhibited reversible thermochromic behavior in dmf over a temperature range of room to 180° C. The complexes showed dark blue at room temperature and yellow-brown at 180° C, due to the dissociation of the coordinated ethanolic groups of the ligand at the axial position and substitution by solvent molecules at the elevated temperature.

Keywords

Main Subjects

Iranian Journal of Chemistry and Chemical Engineering

Articles in Press, Accepted Manuscript
Available Online from 11 July 2023

Files

Share

How to cite

Statistics