Spin density distribution in oxamato-type transition metal complexes

摘要

The spin density distribution of the paramagnetic [(Bu4N)-Bu-n](2)[Cu(dana)] dana = N,N'-(naphthalene-2,3-diyl)-bis(oxamato) has been derived from angular dependent electron paramagnetic resonance measurements at room temperature. The results indicate a noticeable spin density transfer from the central metal to the coordinated N and 0 atoms. Quantum chemical studies using density functional theory reinforce the results. (c) 2006 Elsevier Ltd. All rights reserved.