1428143-33-2Relevant academic research and scientific papers
Synthesis of copper (II) complexes incorporating N,N-dimethyl-N′- benzylethylenediamine and NCX (X = O, S and Se) ligands: A combined crystallographic, spectroscopic and DFT study
Golchoubian, Hamid,Koohzad, Sara,Ramzani, Maedeh,Farmanzadeh, Davood
, p. 1 - 9 (2013)
Three copper (II) complexes of type [Cu(L)2(NCX)]ClO 4, 1-3, (L = N,N-dimethyl,N′-benzyl-1,2- diaminoethane and X = O, S and Se) were synthesized and characterized on the basis of microanalytical, spectroscopic and molar conductance. An X-ray diffraction study of [Cu(L)2(NCO)]ClO4 (1) reveals that the copper (II) center located in a distorted square pyramidal environment through coordination of four amine N atoms and a N atom of the terminal NCO -. Density functional theory (DFT) calculations were performed to understand the linkage isomerism of NCX- ligand from a theoretical point of view, to study the electronic structure of the complexes and the relative stabilities of the Cu-NCX/Cu-XCN isomers. DFT computational results buttressed the experimental observations indicating that the Cu-NCX isomer is more stable than Cu-XCN linkage isomer. Complexes 1 and 2 exhibit solvatochromism as evidenced from visible study in different solvents.
