Abstract
Four mixed-ligand copper(H) complexes of the nitrogen ligand bis[N-(p-tolyl)imino]acenaphthene 1 (p-Tol-BIAN). These complexes, namely [Cu(p-Tol-BIAN)(2)](ClO4)(2) 2, [Cu(p-Tol-BIAN)(acac)](ClO4) 3, [Cu(p-Tol-BIAN)Cl-2] 4 and [Cu(p-Tol-BIAN)(AcOH)(2)](ClO4)(2) 5, were prepared and characterized. Solvatochromism of the novel copper complexes in various solvents has been studied. Molecular mechanics (MM+) and molecular dynamic simulations have been performed to learn more about the solvatochromic behaviour and the DNA binding affinity of these complexes. (C) 2007 Elsevier Masson SAS. All rights reserved.