Abstract
The paramagnetic Cu-II impurity observed by EPR in all prepared samples of the binuclear antiferromagnetically coupled (n-Bu4N)(2)[(mnt)Cu(tto)Cu(mnt)] (mnt = 1,2-dicyanoethene-1,2dithiolate; tto = tetrathiooxalate) has been identified to be [Cu(mnt)(2)](2 -). The experimental data as well as the results from density functional theory (DFT) calculations are used to characterize the spin-density distribution in the mononuclear Cu-II complex. (C) 2000 Elsevier Science S.A. All rights reserved.