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Hamid Golchoubian

Hamid Golchoubian

Academic rank: Professor
ORCID: ORCID ID: 0000-0001-9794-4187
Education: PhD.
ScopusId: 14009200600
Faculty: Faculty of Chemistry
Address:
Phone: 01135302385

Research

Title
Synthesis, characterization and DFT/TD-DFT studies on molecular structure, vibration and absorption spectra of binuclear copper (II) complexes
Type
Presentation
Keywords
copper (II), binuclear, DFT, TDDFT, absorption spectra
Year
2016
Researchers Hamid Golchoubian ، Sara Kohzad

Abstract

In this work, binuclear copper(II) complex of [L(N3)Cu(μN,N-N3)2CuL(N3)], 1-2 (L1 = N,N-dimethyl,N'-benzyl-ethylenediamine, L2 = N,N-diethylyl,N'-benzyl-ethylenediamine) ) has been synthesized and structurally characterized. X-ray crystallography study of the complex reveals that the copper (II) center has a distorted octahedral environment [1]. The experimental studies on the compounds have been accompanied computationally by the density functional theory (DFT) calculations. We utilized DFT/TDDFT calculations to obtain a theoretical support for absorption spectr and particular coordination geometry being adapted around the metal ion center.